Computer-based method for determining optimal sunscreen filter composition

Abstract

The present invention relates to the development of sunscreen filter compositions. In order to efficiently determine a sunscreen filter composition, there is provided a computer-implemented method (200) for determining a composition comprising one or more UV filter substances, the method comprising the steps of: a) providing (210) input data via an input unit, the input data comprising: a sunscreen performance target profile, the sunscreen performance target profile includes minimum product requirements of the composition; and a set of optimization target parameters, wherein the set of optimization target parameters comprises two or more optimization target parameters; b) performing (220), by the processing unit, a multi-objective optimization process on the computational model to determine a set of Pareto-effective solutions, each solution being a composition of substances used to form the composition such that the composition meets the minimum product requirements; and for the set of optimization target parameters, each solution has Pareto efficiency; and c) providing (230), via an output unit, at least one of the determined substance compositions, which is preferably useful for guiding the production of the sunscreen product.

Description

Technical Field

[0001] The invention relates to a computer-implemented method and device for determining a composition comprising one or more UV filter substances, a method and device for manufacturing a sun protection product, a method and device for verifying the manufacture of a sun protection product and a computer program element. Background Art

[0002] Sunscreen filter compositions are prepared from a variety of different UV filter substances, which are known to have different UV absorption characteristics. When creating a sunscreen filter composition, the designer selects the various substances and combines them in their relative proportions in order to achieve the target sunscreen performance.

[0003] In the current formulation design of sunscreen products, designers often try to find the optimal solution in the multidimensional target space by empirically iterating the formulation parameters in the design space. Usually, this process will continue until a solution that meets specific requirements is found, or a certain deadline is reached when the solution must be delivered. For example, EP 3 889 963A1 describes a computer-based method for determining a sunscreen composition. The user is required to select an optimization target. In this way, a user-defined interactive process can be implemented, in which the target can be selected according to the general needs of the user and according to the sunscreen properties that should be optimized. In particular, the target can be changed during the process to iteratively improve the sunscreen composition.

[0004] This iterative process may lead to good results; however, it is not guaranteed to be optimal. In addition, empirical optimization only covers restricted regions in both the design space and the objective space, so only limited information about the trade-offs between different objectives is obtained and decisions cannot be made based on a comprehensive understanding of the solution space. This limitation may lead to overlooking solutions of interest. Summary of the invention

[0005] It may be desirable to efficiently determine compositions comprising one or more UV filter substances.

[0006] The objects of the invention are achieved by the subject-matter of the independent claims, wherein further embodiments are contained in the dependent claims. It should be noted that the aspects of the invention described below also apply to a computer-implemented method and apparatus for determining a composition comprising one or more UV filter substances, a method and apparatus for manufacturing a sunscreen product, a method and apparatus for verifying the manufacture of a sunscreen product and computer program elements.

[0007] According to a first aspect of the present invention, there is provided a computer-implemented method for determining a composition comprising one or more UV filter substances, the method comprising the following steps:

[0008] a) providing input data via an input unit, the input data comprising:

[0009] - a sun protection performance target profile comprising the minimum product requirements for the composition; and

[0010] - a set of optimization target parameters, the set of optimization target parameters comprising two or more optimization target parameters;

[0011] b) performing a multi-objective optimization process on the computational model by the processing unit to determine a set of Pareto efficient solutions, where:

[0012] - each solution is a composition of matter for forming the composition such that the composition meets the minimum product requirement; and

[0013] - each solution is Pareto efficient with respect to the set of optimization objective parameters; and

[0014] c) providing information about at least one of the determined substance compositions via an output unit, which at least one substance composition can preferably be used to guide the production of a sun protection product.

[0015] The computer-implemented method and apparatus described herein provide a reliable means for multi-criteria optimization of compositions comprising one or more UV filter substances. The proposed computer-implemented method and apparatus enable a simultaneous search for the desired best compromise of two or more properties, rather than finding the optimal solution in a multidimensional objective space by empirically iteratively changing formulation parameters in the design space. Thus, more information about the trade-offs between different objectives is available, and decisions can be based on this knowledge. The optimal solution is expected to be a subset of the feasible solutions.

[0016] This can help users (e.g., companies) identify and produce suitable products. The number of laboratory experiments will be reduced to an absolute minimum. This will speed up the development and production of formulations.

[0017] In addition, the generated composition of matter can represent a sunscreen product with desired performance characteristics. In this way, various substances including UV filter substances can be objectively checked to verify user requirements for performance characteristics, verify the composition before production / delivery, and customize the sunscreen product according to the needs of the user. Therefore, no in vitro / in vivo experiments are required for evaluation.

[0018] Furthermore, the computer-implemented methods and apparatus as described herein can be used to exchange substances in sunscreen products that are hindered due to competing intellectual property rights, regulatory issues in different countries, or lack of resources.

[0019] The computer-implemented method will be described below and with particular reference to Figure 3 The examples shown are described.

[0020] According to an embodiment of the present invention, the input data further includes one or more technical requirements to restrict the Pareto efficient solutions to satisfy the one or more technical requirements.

[0021] For example, if one or more solvents are used, one or more UV filters may be soluble in the one or more solvents, and all given concentrations (i.e., filters and solvents) may conform to the solubility data. To ensure this, a solubility model may be applied using the solubility data for each filter in each solvent.

[0022] According to an embodiment of the present invention, the one or more technical requirements include one or more of the following:

[0023] - a solubility model comprising solubility data for each solid filter agent in one or more solvents;

[0024] - the assumed limits for the individual concentrations of each solvent;

[0025] - the assumed limits for the individual concentrations of each filter;

[0026] - the assumed limit of total filter concentration; and

[0027] -Assumed limit for total solvent concentration.

[0028] For example, in the case of a linear solubility model, the assumptions i) for a given filter, the total solubility in the solvent mixture is given by the fractional average of the solubilities of this filter in the respective solvents and ii) the solubilities of the individual filters in the solvents do not interfere with each other, which means that i.) applies independently to all filters.

[0029] According to an embodiment of the present invention, each material composition includes at least one of the following:

[0030] - one or more UV filter substances;

[0031] - one or more UV filter substances and one or more solvents

[0032] - one or more UV filter substances in a certain type of formulation; and

[0033] - one or more UV filter substances and one or more solvents in a certain formulation type.

[0034] In an embodiment, the UV filter material can include a specific compound that blocks ultraviolet light from passing through. In other words, the UV filter material can include soluble or insoluble organic or inorganic agents that protect the skin from sunburn caused by UVB and / or UVA radiation by absorbing or blocking ultraviolet radiation, such as erythema, skin cancer, etc. These soluble UV filter agents work by absorbing UV rays. They are soluble or miscible in hydrophilic media or lipophilic media. Hydrophilic filters are added to the hydrophilic part of the formulation. Lipophilic soluble UV filters can be supplied in liquid form, which can then be directly added to the lipophilic phase of the emulsion vehicle. Some filters are supplied as solid UV filters (such as ethylhexyl triazone, diethylaminohydroxybenzoyl benzoic acid hexyl ester, bis-ethylhexyloxyphenol methoxyphenyl triazine, butyl methoxydibenzoylmethane, diethylhexyl butyramido triazone), and need to be dissolved in the lipophilic phase of the emulsion vehicle using a solvent. The solvent here is a cosmetic oil. Insoluble or particulate UV filter agents (such as tris-biphenyl triazine, methylene bis-benzotriazolyl tetramethylbutylphenol, phenylene bis-diphenyl triazine, bis-(diethylaminohydroxybenzoylbenzoyl)-piperazine, titanium dioxide and zinc oxide) work by absorbing and additionally reflecting and / or scattering UV rays. Organic particulate filters are usually added in the hydrophilic part of the emulsion (in the aqueous phase before emulsification, or in the outer hydrophilic phase of an oil-in-water emulsion). Titanium dioxide and zinc oxide can be added to the lipophilic part or the hydrophilic part depending on the presence and type of coating. Different jurisdictions may allow different UV filters. Annex VI to Regulation (EC) No. 1223 / 2009 of the European Parliament and of the Council lists the UV filters allowed for use in cosmetic products in the European Union. In this disclosure, the term "UV filter" is also referred to as "filter".

[0035] The formulation vehicle (also referred to as formulation type) of a sunscreen should allow the active UV filters to be evenly dispersed in the vehicle and on the skin. The formulation type may affect the sunscreen performance. Thus, different formulations with the same UV filter composition may exhibit different sunscreen performance.

[0036] To this end, the computer-implemented methods and apparatus described herein may also consider formulation type (e.g., fluid emulsion, cream emulsion, etc.) in addition to the properties of the UV filter. The selection of formulation type depends on individual needs and preferences. Since the formulation type can be selected, the desired solution can be customized according to the needs of the user. The desired solution may also reduce the difference between the target sun protection performance index and the sun protection performance measured in vivo, thereby reducing a large amount of in vivo testing at the user level.

[0037] Formulation types may include formulations containing water or formulations that do not contain water. Examples of formulation types may include, but are not limited to, oil-in-water fluid emulsions, oil-in-water cream emulsions, water-in-oil emulsions, oil-in-water-in-oil emulsions, water-in-oil-in-water emulsions, water-in-silicone emulsions, silicone-in-water emulsions, polymer gel creams, lipophilic single-phase oils, lipophilic single-phase gels, lipophilic single-phase sticks, lipophilic-alcohol mixtures, hydrophilic single-phase fluids, hydrophilic single-phase gels, and powders.

[0038] According to an embodiment of the present invention, the method further includes the following steps: providing a graphical user interface (GUI) for Pareto front visualization, wherein the GUI provides an interactive user interface that allows a user to navigate on the set of determined Pareto efficient solutions by adjusting the set of optimization target parameters and / or adjusting the formulation of at least one of the determined material compositions.

[0039] Reference Figure 4A and Figure 4B The illustrated examples describe in detail an exemplary interactive user interface.

[0040] According to an embodiment of the present invention, interpolation is performed between points in the determined set of Pareto efficient solutions, and the GUI provides the interactive user interface that allows the user to navigate on the interpolated Pareto efficient solutions.

[0041] This will be referred to hereinafter and in particular Figure 5 The example shown in is explained in detail.

[0042] According to an embodiment of the present invention, the minimum product requirements of the composition include one or more of the following: sun protection factor (SPF), UVA protection factor (UVA-PF), critical wavelength, ratio of UVA to UVB protection, ratio of UVA1 to UV protection, blue light protection, free radical protection factor, environmental impact factor, limit concentration of substance, and formulation type.

[0043] Implementation of the one or more minimum product requirements may be addressed by converting the one or more minimum product requirements into at least one corresponding mathematical optimization constraint.

[0044] In an embodiment, a sun protection factor (SPF) can indicate protection from erythema on the skin. The factor indicates how long the protected skin can be exposed to the sun without getting burned, compared to untreated skin. For example, if a sunscreen composition with an SPF of 15 is evenly applied to the skin of a person who normally gets burned after 10 minutes in the sun, the sunscreen allows the technician to stay in the sun 15 times longer. In other words, SPF 15 means that 1 / 15 of the intense UV radiation will reach the skin, assuming a 2 mg / cm2 (mg / cm 2 ) in the case of a thick, uniform application of sunscreen. It can be evaluated in vivo (according to ISO24444), calculated using the BASF Sunscreen Simulator (https: / / sunscreensimulator.basf.com / Sunscreen_Simulator / login) or in vitro by transmittance measurements of a sunscreen sample film applied on a UV-transparent, rough substrate flat plate.

[0045] Suitable substrates are, for example, PMMA plates. In vitro transmittance measurements can be performed with a Labsphere UV Transmittance Analyzer UV2000S from 290 to 400 nm in steps of 1 nm. UV transmission spectra are then acquired and the SPF in vitro value is calculated according to the following equation.

[0046]

[0047] where ser(λ) is the erythema action spectrum, and S(λ) is the spectral irradiance received from the UV source, and T(λ) is the transmittance measured in vitro.

[0048] In an embodiment, the UVA protection factor (UVA-PF) may indicate protection of the skin from UVA rays and may be measured according to ISO 24442 or ISO 24443, or may be calculated using the BASF sunscreen simulator (https: / / sunscreensimulator.basf.com / Sunscreen_Simulator / login). The European Commission recommends that all sunscreens should have a UV-A protection factor that is at least one third of the indicated sun protection factor (SPF), e.g., if the sunscreen composition has an SPF of 30, the UVA protection factor must be at least 10. In Asia, it is recommended to classify the UVA protection capability of sunscreens according to the UVA-PF value as PA. As an example, the PA+++ classification indicates a UVA-PF value between 8 and 16, and PA++++ when the UVA-PF value is above 16.

[0049] In an embodiment, the critical wavelength may correspond to a wavelength below which 90% of the area under the absorbance curve between 290 and 400 nm is covered. It is an in vitro test for determining UV absorbance in the UVA range. According to US requirements, a critical wavelength of at least 370 nm is required to achieve broad-spectrum protection. In a proposed order (OTC000008) published on September 24, 2021, the FDA proposed to add an additional requirement for passing the broad-spectrum test, namely that the product should meet a UVA1 / UV ratio of at least 0.7.

[0050] In embodiments, the ratio of UVA1 to UVB protection may correspond to protection in the UVA1 range (340 nm to 400 nm) compared to protection in the UV range (290 nm to 400 nm).

[0051] In an embodiment, the ratio of UVA to UVB protection may correspond to protection within the UVA range (320 nm to 400 nm) compared to protection within the UVB range (290 nm to 320 nm), which may be assessed, for example, according to the Boots star rating system methodology.

[0052] In an embodiment, blue light protection may indicate protection of the skin from blue light rays (400 to 500 nm, more preferably 400 to 450 nm). It may be assessed, for example, by transmittance measurement, and given the transmittance reduction by a sunscreen sample film coated on a UV transparent rough substrate flat plate, and expressed as a reduction in transmittance in the blue light range.

[0053] In an embodiment, the free radical protection factor may indicate protection of the skin against the formation of free radicals, which is wavelength dependent with two maxima, one in the UVB range and the other in the UVA range, as described by ZASTROW et al. The missing link--light induced free radical formation in humanskin, Skin Pharmacology and Physiology, 2009.

[0054] In an embodiment, the environmental impact factor can indicate the impact of a specific UV filter composition on the environment. This can be evaluated, for example, using the Ecosun Pass standard described in WO2019 / 207129A1, which indicates that for optimal environmental compatibility, a filter combination with an Ecosun Pass value of at least 200 is required. The environmental impact factor can also be evaluated, for example, using an eco-score coefficient as described by Kunze et al. (New method for connecting sunscreens with consumers via a relative Eco-score, SOFW magazine, 147, 11 / 21). The goal is to minimize the environmental impact factor, or conversely, to maximize environmental friendliness.

[0055] In one embodiment, the minimum product requirements are a specific SPF value, a UVA-PF / SPF ratio of at least 1 / 3, and a critical wavelength of at least 370 nm.

[0056] In another embodiment, the minimum product requirements are a specific SPF value, a UVA-PF / SPF ratio of at least 1 / 3, a critical wavelength of at least 370 nm, and an Ecosun pass value of at least 200.

[0057] In another embodiment, the minimum product requirements are a specific SPF value, a UVA1 / UV ratio of at least 0.7, and a critical wavelength of at least 370 nm.

[0058] In another embodiment, the minimum product requirement is a specific SPF value and a UVA-PF of at least 16.

[0059] In one embodiment, the minimum product requirements are a specific SPF value, a UVA-PF / SPF ratio of at least 1 / 3, a critical wavelength of at least 370 nm, and a given maximum total solvent concentration.

[0060] In one embodiment, the minimum product requirements are a certain SPF value, a UVA-PF / SPF ratio of at least 1 / 3, a critical wavelength of at least 370 nm, and a given maximum concentration of at least one solvent.

[0061] In one embodiment, the minimum product requirements are a specific SPF value, a UVA-PF / SPF ratio of at least 1 / 3, a critical wavelength of at least 370 nm, and a given maximum total filter concentration.

[0062] In one embodiment, the minimum product requirements are a specific SPF value, a UVA-PF / SPF ratio of at least 1 / 3, a critical wavelength of at least 370 nm, and a given maximum total filter concentration for the oil-in-water fluid formulation type.

[0063] According to another embodiment of the present invention, the input data may further include one or more technical requirements to restrict the Pareto efficient solutions to satisfy the one or more technical requirements.

[0064] In an example, the one or more technical requirements may include one or more of the following:

[0065] - a solubility model including solubility data for each solid filter in a solvent;

[0066] - the assumed limits for the individual concentrations of each solvent;

[0067] - the assumed limits for the individual concentrations of each filter;

[0068] - the assumed limit of total filter concentration; and

[0069] -Assumed limit for total solvent concentration.

[0070] For example, in the case of a linear solubility model, the assumptions i) for a given filter, the total solubility in the solvent mixture is given by the fractional average of the solubilities of this filter in the respective solvents and ii) the solubilities of the individual filters in the solvents do not interfere with each other, which means that i.) applies independently to all filters.

[0071] According to an embodiment of the present invention, the set of optimization target parameters includes two or more of the following: minimum value of required UV filter concentration, filter efficiency, number of UV filters used, minimum concentration of particulate filter, type of UV filter, minimum concentration of specific UV filter, minimum concentration of specific solvent, concentration of solvent, type of solvent, minimum concentration of solvent, highest sun protection factor, highest UVA protection factor, highest UVA / UVB ratio, highest UVA1 / UV ratio, highest blue light protection, highest environmental friendliness, highest biodegradability, highest naturalness, lowest cost of the determined material composition, and similarity to the provided filter material composition.

[0072] Solvents are required to efficiently dissolve solid UV filters. Examples of solvents for dissolving solid UV filters include C12-15 alkyl benzoate, dibutyl adipate, diisopropyl sebacate, dibutyl sebacate, dicaprylyl carbonate, isopropyl palmitate, isopropyl myristate, lauryl lactate, caprylic caprylic triglyceride, cetearyl isononanoate, cocoglyceryl, isononyl isononanoate, propylene glycol dicaprylate / dicaprate, butylene glycol dicaprylate / dicaprate, and the like.

[0073] The type of filter may refer to its solubility, e.g. if the filter is intended to be added to the hydrophilic or lipophilic phase of the formulation, its form, e.g. if the filter is particulate or non-particulate, or its biodegradation profile, e.g. if the filter is predominantly readily biodegradable or moderately biodegradable.

[0074] Examples of UV filters that need to be dissolved are bis-ethylhexyloxyphenol methoxyphenyl triazine, ethylhexyl triazone, diethylaminohydroxybenzoyl hexyl benzoate, butyl methoxydibenzoylmethane, diethylhexyl butamido triazone.

[0075] When, for example, "minimum concentration of solvent" is used as optimization target parameter, the Pareto efficient solution should ensure that all solid UV filters are dissolved in the solvent. For example, a linear solubility model can be used, which assumes that i) for a given filter, the total solubility in the solvent mixture is given by the fractional average of the solubility of this filter in the respective solvent, and ii) the solubility of the individual filters in the solvent does not interfere with each other, which means that i.) applies independently to all filters. In other words, if the solvent is used as optimization target, the solid UV filter needs to be dissolved in a certain amount of solvent given as "minimized optimization target" or as "Pareto efficient solution".

[0076] According to a second aspect of the present invention, there is provided a method for manufacturing a sunscreen product, the method comprising the following steps:

[0077] - Provide the desired performance characteristics of sunscreen products;

[0078] - based on the target performance feature, determining a composition comprising one or more UV filter substances according to the method of any of the preceding claims; and

[0079] - Use of compositions comprising one or more UV filter substances for the manufacture of sun protection products.

[0080] This will be referred to hereinafter and in particular Figure 6 The example shown in is explained in detail.

[0081] According to an embodiment of the present invention, the method further comprises:

[0082] - provide measured performance characteristics of manufactured sunscreen products; and

[0083] - Comparing the measured performance characteristics of the manufactured sunscreen product with the target performance characteristics of the desired sunscreen product to determine whether the manufactured sunscreen product meets predetermined performance quality standards.

[0084] According to a third aspect of the present invention, there is provided a method for verifying the manufacture of a sunscreen product, the method comprising the following steps:

[0085] - Provide existing performance characteristics of sunscreen products that have been made with one or more substances;

[0086] - generating a composition based on the existing performance characteristics according to the method of the first aspect and any associated examples, wherein the generated composition and the existing sunscreen product include at least one different substance;

[0087] - producing the resulting composition; and

[0088] - Comparing the measured performance characteristics of the resulting composition with existing performance characteristics of the sunscreen product to validate at least one substance.

[0089] This will be referred to hereinafter and in particular Figure 7 The example shown in is explained in detail.

[0090] According to a fourth aspect of the present invention, there is provided an apparatus for determining a composition comprising one or more UV filter substances, the apparatus comprising one or more processing units configured to determine a composition comprising one or more UV filter substances for forming the sunscreen composition, wherein the one or more processing units comprise instructions which, when executed on the one or more processing units, perform the method steps of the method described in accordance with the first aspect and any associated examples.

[0091] This will be referred to hereinafter and in particular Figure 1 and Figure 2 The example shown in is explained in detail.

[0092] According to a fifth aspect of the present invention, there is provided an apparatus for manufacturing a sunscreen product, the apparatus comprising a controller module and a manufacturing device, the controller module being configured to control the manufacturing device to manufacture the sunscreen product.

[0093] This will be referred to hereinafter and in particular Figure 8 The example shown in is explained in detail.

[0094] According to a sixth aspect of the present invention, there is provided an apparatus for verifying the manufacture of a sunscreen product, the apparatus comprising one or more processing units configured to verify the production of a sunscreen product, wherein the (multiple) processing units comprise instructions which, when executed on the one or more processing units, perform the method described in accordance with the third aspect and any associated examples.

[0095] This will be referred to hereinafter and in particular Fig. 9 The example shown in is explained in detail.

[0096] According to another aspect of the invention, there is provided a computer program element comprising instructions which, when executed by a processing unit, cause the processing unit to perform the steps of the method according to the first aspect and any associated examples.

[0097] In an embodiment, a sunscreen product may include a final formulation for protecting human skin from ultraviolet radiation. Sunscreens contain one or more ultraviolet (UV) filter substances, which may include organic and / or inorganic UV filters. In addition, sunscreen products may contain many other substances, such as solvents, emulsifiers, thickeners, waxes, preservatives or stabilizers, fragrances, and coloring compounds.

[0098] In an embodiment, the input unit may include any item or element forming a boundary configured for transmitting information. In particular, the input unit may be configured to transmit information to a computing device, such as a computer, in order to receive information. The input unit is preferably a separate unit configured to receive information or transmit information to a computing device, such as one or more of the following: an interface, in particular a web interface and / or a data interface; a keyboard; a terminal; a touch screen or any other input device deemed appropriate by the skilled person. More preferably, the input unit includes or is configured to transmit or exchange information as specified below as a data interface.

[0099] In an embodiment, the output unit may include any item or element forming a boundary configured for transmitting information. In particular, the output unit may be configured to transmit information from a computing device (e.g., a computer), such as sending or outputting information to another device (e.g., a control unit) that controls and / or monitors the production process of the produced composition. The output unit is preferably a separate unit configured to output or transmit information from a computing device, such as one or more of the following: an interface, specifically a web interface and / or a data interface; a screen, a printer or a touch screen or any other output device that the technician considers appropriate. More preferably, the output unit includes or is configured to transmit or exchange a data interface of information as specified below.

[0100] Preferably, the input unit and the output unit are configured as at least one or at least two separate data interfaces; that is, preferably, a data transmission connection is provided, such as wireless transmission, Internet transmission, Bluetooth, NFC, inductive coupling, etc. As an example, the data transmission connection can be or can include at least one port, the at least one port including one or more of a network or Internet port, a USB port and a disk drive. The input unit and / or the output unit can also be at least one web interface.

[0101] In an embodiment, a processing unit may refer to any logic circuit system configured to perform the operation of a computer or system, and / or generally refers to a device or unit thereof configured to perform a calculation or logic operation. The processing unit may include at least one processor. In particular, the processing unit may be configured to process basic instructions that drive a computer or system. As an example, the processing unit may include at least one arithmetic logic unit (ALU), at least one floating point unit (FPU) (such as a mathematical coprocessor or a digital coprocessor), a plurality of registers, and a memory (such as a cache memory). In particular, the processing unit may be a multi-core processor. The processing unit may include a central processing unit (CPU) and / or one or more graphics processing units (GPUs) and / or one or more application specific integrated circuits (ASICs) and / or one or more tensor processing units (TPUs) and / or one or more field programmable gate arrays (FPGAs), etc. The processing unit may be configured to preprocess input data. Preprocessing may include at least one filtering process for input data that meets at least one quality standard. For example, the input data may be filtered to remove missing variables. Preferably, the input data may be compared with at least one predefined threshold (e.g., a threshold temperature) to determine whether method step (ii) needs to be performed. Preferably, the processing unit is configured to perform a multi-criteria optimization, preferably a calculation, on an optimization signal consisting of a list of input parameters that optimizes the target application profile according to the underlying model predictions. Preferably, the multi-criteria optimization is a Pareto optimization and the list consists of Pareto optimal solutions. Furthermore, the optimization signal may contain a complete or approximate representation of a Pareto front based on the underlying model function.

[0102] In an embodiment, the calculation model may refer to a model for simulating sunscreen performance, which is based on the calculation of the UV transmittance of the sunscreen film. The connection with the sun protection factor is given by the fact that the inverse of the transmittance of a specific wavelength is the coefficient at which the corresponding radiation is attenuated, and has the meaning of a monochromatic protection factor. The monochromatic protection factor is weighted by the erythema action spectrum and the spectrum of the UV light source in the relevant UV range of 290 to 400nm to obtain the sun protection factor. Although the data of the erythema action spectrum and the UV light source are available from the literature, the transmittance of each sunscreen composition must be determined individually. For example, the calculation of UV transmittance requires a quantitative UV spectrum of a UV filter, such as based on a molar decimal extinction coefficient. From this spectral data, the effective UV absorbance of the filter composition can be obtained. However, in order to obtain the actual UV transmittance, the irregular structure of the sunscreen film formed on the skin must be taken into account. In addition, since some UV absorbers are not photostable, information about the photodynamics of the UV filter is also necessary. The interpretation / description of the computational model is described in: Bernd Herzog and Uli Osterwalder, Simulation of sunscreen performance, Pure and Applied Chemistry, 2015;87(9-10):937–951.

[0103] It should be understood that all combinations of the aforementioned concepts and the additional concepts discussed in more detail below (provided that these concepts are not mutually contradictory) are considered to be part of the inventive subject matter disclosed herein. In particular, all combinations of the claimed subject matter appearing at the end of this disclosure are considered to be part of the inventive subject matter disclosed herein.

[0104] These and other aspects of the invention will be apparent from and elucidated with reference to the embodiment(s) described hereinafter. BRIEF DESCRIPTION OF THE DRAWINGS

[0105] In the drawings, like reference numerals generally refer to the same parts throughout the different views. Also, the drawings are not necessarily to scale, emphasis instead generally being placed upon illustrating the principles of the invention.

[0106] Figure 1 A block diagram of an exemplary apparatus for determining a composition including one or more UV filter substances is shown.

[0107] Figure 2 An exemplary system for determining a composition including one or more UV filter substances is presented.

[0108] Figure 3 A flow chart describing a computer-implemented method for determining a composition including one or more UV filter substances is presented.

[0109] Figure 4A and Figure 4B An exemplary implementation of a user interface in the form of an interactively movable slider is presented.

[0110] Figure 5 Navigation of the Pareto front of two minimization objectives A and B is shown.

[0111] Figure 6 A flow chart describing a method for providing sun protection product manufacturing is presented.

[0112] Figure 7 An example of a flow chart describing a method for verifying the manufacture of a sun protection product is shown.

[0113] Figure 8 An example of a production line with a monitoring device for manufacturing sun protection products is shown.

[0114] Fig. 9 Another example of a production line with a verification device for manufacturing sun protection products is shown. DETAILED DESCRIPTION

[0115] Figure 1 A block diagram of an exemplary apparatus 10 for determining a composition comprising one or more UV filter substances is shown. The apparatus 10 comprises an input unit 12, a processing unit 14 and an output unit 16.

[0116] In general, the apparatus 10 may include various physical and / or logical components for communicating and manipulating information, which may be implemented as hardware components (e.g., computing devices, processors, logic devices), executable computer program instructions (e.g., firmware, software) to be executed by various hardware components, or any combination thereof, as desired for a given set of design parameters or performance constraints. Figure 1 A limited number of components may be shown as an example, but it is understood that a greater or lesser number of components may be employed for a given implementation.

[0117] In some embodiments, the apparatus 10 may be implemented as or in a device or apparatus, such as a server, a workstation, or a mobile device. The apparatus 10 may include one or more microprocessors or computer processors that execute appropriate software. The processing unit 14 of the apparatus 10 may be implemented by one or more of these processors. The software may have been downloaded and / or stored in a corresponding memory, for example, a volatile memory such as RAM or a non-volatile memory such as flash memory. The software may include instructions that configure one or more processors to perform the functions described herein.

[0118] Note that the apparatus 10 may be implemented with or without a processor, and may also be implemented as a combination of dedicated hardware that performs certain functions and a processor (e.g., one or more programmed microprocessors and associated circuitry) that performs other functions. For example, the functional units of the apparatus 10 (e.g., input unit 12, one or more processing units 14, and output unit 16) may be implemented in a device or apparatus in the form of programmable logic (e.g., as a field programmable gate array (FPGA)). In general, each functional unit of the apparatus may be implemented in the form of a circuit.

[0119] In some embodiments, the device 10 may also be implemented in a distributed manner. For example, some or all units of the device 10 may be arranged as separate modules in a distributed architecture and connected in a suitable communication network, such as a third generation partnership project (3GPP) network, a long term evolution (LTE) network, the Internet, a LAN (local area network), a wireless LAN (local area network), a WAN (wide area network), etc.

[0120] The processing unit(s) 14 may execute instructions to perform the methods described herein, which will be referred to herein. Figure 3 The examples shown in are explained in detail.

[0121] Figure 2 An exemplary system 100 for determining a composition including one or more UV filter substances is shown. The system 100 includes a data management system 20, a decision support system 30, an electronic communication device 40, and a network 50. In this example, the apparatus 10 is implemented as or in the decision support system 30, for example, as software residing in the decision support system 30.

[0122] The data management system 20 of the illustrated example may store a database, an application, a local file, or any combination thereof. The data management system 20 may include a UV filter material database that stores information about a variety of UV filter materials and characteristics. For example, the information may include an identifier of a UV filter material (e.g., a UV filter material ID or a common name or scientific name of a UV filter material) and related characteristics. Regulatory restrictions on some UV filter materials in some specific regions may also be included in the UV filter material database. In some examples, the UV filter material database may cover all or most common UV filter materials. In some examples, the UV filter material database may be limited to the UV filter materials of a certain provider. In addition, the UV filter material database may be limited to the range of UV filter materials allowed for use in a specific jurisdiction. The UV filter material database may be provided by a third party. However, a user may also create a customized UV filter material database by scanning the label of the UV filter material product he / she intends to use and by obtaining information about the UV filter material product from the supplier database. Through the latter, the user may also supplement the UV filter material database with information about other UV filter materials.

[0123] The decision support system 30 of the illustrated example may be a server that provides web services to facilitate data management. The decision support system 30 may include a data extraction module (not shown) configured to identify data to be extracted from the data management system 20, retrieve data from the data management system 20, and provide the retrieved data to the device 10, which processes the extracted data according to the methods described herein. The data processed by the device 10 and its final output may be provided to a user output device (e.g., an electronic communication device 40) and / or provided in an output database (e.g., in the data management system 20). The user output device may include a computer, a smart phone, a tablet computer, a smart watch, a monitor, a data storage device, or any other device that enables a user, including a human and a robot, to receive data from the decision support system, such as the electronic communication device 40. The output database may include any organized collection of data that can be stored and accessed electronically from a computer system and can receive data output or transmitted from the decision support system 30.

[0124] The electronic communication device 40 of the illustrated example can be a desktop, notebook, laptop computer, mobile phone, smart phone and / or PDA. The electronic communication device 40 can include an application configured to interface with the web service provided by the decision support system 30. The application can be a software application that enables a user to manipulate the data extracted from the data management system 20 by the decision support system 30, and select and specify the actions to be performed on each data. For example, the application can be a desktop application, a mobile application or a web-based application. The application can include a user interface, such as an interactive interface, including but not limited to a GUI, a character user interface and a touch screen interface. Via the software application, a user can use, for example, a username and password authentication to access the decision support system 30 to obtain data from the data management system 20 and determine the composition including one or more UV filter substances.

[0125] The network 50 of the illustrated example communicatively couples the data management system 20, the decision support system 30, and the electronic communication device 40. In some examples, the network 50 may be the Internet. Alternatively, the network 50 may be any other type and number of networks. For example, the network 50 may be implemented by a number of local area networks connected to a wide area network. For example, the data management system 20 may be associated with a first local area network, the decision support system 30 may be associated with a second local area network, and the electronic communication device 40 may be associated with a third local area network. The first local area network, the second local area network, and the third local area network may be connected to the wide area network. Of course, the network 50 may be implemented using any other configuration and topology, including any combination of wired networks, wireless networks, wide area networks, local area networks, and the like.

[0126] Figure 3 A flow chart describing a computer-implemented method 200 for determining a composition comprising one or more UV filter substances is shown. In the following, an exemplary sequence of steps according to the present disclosure is explained.

[0127] Method 200 may be performed by a device (such as Figure 1 or Figure 2 The apparatus 10 shown in the figure is executed. The apparatus can be a computing device or a computing system, regardless of the platform, suitable for executing program codes associated with the proposed method. As another example, the apparatus can be implemented as a computer system or implemented in a computer system. The apparatus can be implemented as a remote server or implemented in a remote server, which provides a web service to facilitate the determination of a composition including one or more UV filter substances.

[0128] In the following, about Figure 2 The exemplary computing environment shown is used to describe Figure 3 A computer-implemented method 200.

[0129] At block 210 , via the UI of the software application on the electronic communication device 40 , a user may provide data input to the decision support system 30 .

[0130] The data input includes a sunscreen performance target profile, which includes the minimum product requirements of the composition. The minimum product requirements of the composition can be defined by the user via the UI of the application. For example, the UI of the application can provide a list of characteristics related to the sunscreen performance target, such as an estimated sun protection factor (SPF), an estimated UVA protection factor (UVA-PF), a critical wavelength, a ratio of UVA to UVB protection, a ratio of UVA1 to UV protection, blue light protection, a free radical protection factor, and an environmental impact factor. The user can select one or more of these characteristics as a sunscreen performance target profile. For example, the user can define the following minimum product requirements of the composition: estimated SPF≥50, critical wavelength≥370nm, and UVA-PF≥17. In addition, the user can define in the minimum product requirements of the composition containing solid UV filters, and when the minimum concentration of solvent is selected as the optimization target, the solid UV filter needs to be completely dissolved.

[0131] The data input further includes a set of optimization target parameters, the set of optimization target parameters including two or more optimization target parameters. The list of optimization target parameters can be presented on the UI of the software application. For example, the following list of optimization target parameters can be presented: minimum value of required UV filter concentration, minimum concentration of specific UV filter, minimum concentration of particulate filter, filter efficiency, number of UV filters used, type of filter, concentration of solvent, minimum concentration of specific solvent, type of solvent, minimum concentration of solvent, highest sun protection factor, highest UVA protection factor, highest blue light protection, highest environmental friendliness, highest biodegradability, highest naturalness, lowest cost of the determined material composition, and similarity with the provided filter material composition. The user can select two or more optimization target parameters from the list of optimization target parameters.

[0132] Furthermore, also in case the determination of the optimum concentration of the solvent(s) is given by the Pareto optimization as the solution, the optimum concentration of the solvent(s) must ensure that the optimum concentration of the UV filter(s) given by the Pareto optimization as the solution must be dissolved. Figure 4B An example is given in .

[0133] In some examples, the user can select a set of actual UV filter substances to be considered. For example, a list of UV filter substances can be displayed, and the user can select a desired UV filter substance. In some examples, the user can select a desired UV filter database from the data management system 20, such as a UV filter substance database including UV filter substances of a specific provider, or a UV filter substance database allowed in a specific jurisdiction, or a user-defined UV filter substance database. In some examples, the decision support system 30 can extract information about UV filter substances from the default UV filter substance database of the data management system 20. In this case, the user does not need to select a UV filter substance. In some examples, the user can have the opportunity to define the minimum and maximum amounts of at least some UV filter substances. In some examples, the data support system can define the maximum amount of a substance according to regulatory restrictions in the UV filter substance database in the data management system 20.

[0134] At box 220, after the user has provided the sunscreen performance target profile and a set of optimized target parameters to the decision support system 30, the processing unit 12 of the device 10 performs a multi-objective optimization process on the computational model to determine a set of Pareto efficient solutions. Each solution is a composition of matter for forming a composition so that the composition meets the minimum product requirements. Each solution has Pareto efficiency with respect to a set of optimized target parameters. Each composition of matter can include one or more UV filter substances and additionally include one or more other ingredients, such as emollients.

[0135] Pareto optimality in this article refers to the concept that a solution is a Pareto improvement if a change to a different solution makes at least one objective better without making any other objective worse. A Pareto improvement is Pareto optimal or Pareto efficient if no further Pareto improvements can be made. With the Pareto frontier, chemists can make trade-offs among such a set of objectives by limiting their attention to the Pareto optimal set of objectives, rather than considering the full range of each parameter.

[0136] The Pareto front is a set of solutions in the N-dimensional objective space that are Pareto optimal according to the evaluation method defined for these solutions. To form the optimization signal, the N-dimensional Pareto front includes a set of optimization signals adapted to the optimization objective.

[0137] In practice, model-based predictions are often performed by models that include dimensionality reduction algorithms. Examples are principal component regression models or partial least squares models. In these models, so-called latent variables are formed, and the target variable, which is later used as the optimization target, is modeled as a function of these latent variables rather than of the original input variables. If the spatial dimension defined by the latent variables is smaller than the spatial dimension defined by the original input parameters of the system under consideration, the model exhibits the characteristics of dimensionality reduction and the model is called a degraded model. This degradation has technical consequences. If the real-world system is described by a degraded model with sufficient accuracy, the original input parameters can be systematically changed so that any target variable of interest does not change significantly.

[0138] The space defined by a set of all possible accessible points in the input space with such properties is called an "invariant subspace". In the proposed method, the statistical optimization principle on the invariant subspace is combined with the applied constraints on the original input parameter space to obtain a set of input parameters for sunscreen product design. The input parameters may also be referred to as design parameters and are determined in such a way that the obtained set of input parameters exhibits optimal statistical variability and at the same time makes the target variable of interest (i.e., optimization target parameter, optimization signal) exhibit theoretically zero or in practice only technically exhibits minimal variability. The results generated by the proposed method can be used to cover not only one or a few lead-recipes, but also the entire category of recipes covered by the invariant subspace.

[0139] Preferably, the GUI allows the user to navigate the interpolated solution by moving a slider corresponding to the target. FIG. 4A to FIG. 4B An exemplary implementation of a user interface is shown in FIG.

[0140] At box 230, information about at least one of the determined Pareto-effective material compositions is provided, for example, to be presented on a UI of a software application on the electronic communication device 40 or to the data management system 20. In some examples, at least one of the determined material compositions can be randomly selected by the device 10. In some examples, at least one of the determined material compositions can be selected according to a predefined rule. For example, a UV filter combination can be selected and presented based on the filtration efficiency or the minimum concentration of the UV filter. The output information may further include the amount (concentration) of each substance. In some examples, the output information may include a variety of characteristics characterizing the composition, which may include one or more of the achieved performance, UVA-PF / SPF ratio, total solvent concentration, and total UV filter material concentration. This information is preferably useful for guiding the production of sunscreen products.

[0141] Sunscreen products can be formulated as fluid or creamy water-in-oil emulsions, etc. When applied, the preparation forms a film on the skin surface that provides UV protection. Other preparation types can include but are not limited to water-in-oil emulsions, oil-in-water-in-oil emulsions, water-in-water-in-oil emulsions, water-in-silicone emulsions, water-in-silicone emulsions, polymer gel creams, lipophilic single-phase oils, lipophilic single-phase gels, lipophilic single-phase sticks, lipophilic-alcohol mixtures, hydrophilic single-phase fluids, hydrophilic single-phase gels and powders. The preparation can be a spray, cream, lotion, mousse (foam) or powder, and can be packaged in bottles, cans, pump sprayers, sprays with appropriate applicators accordingly. Different preparations with the same UV filter composition can show different sunscreen properties, because the medium used in the composition may affect the sunscreen properties. In some examples, the method 200 implemented by the above-mentioned computer can determine the composition of a specific preparation type (e.g., water-in-oil fluid emulsion, water-in-oil cream emulsion, etc.). For example, a user may define or select a desired formulation type (e.g., an oil-in-water fluid emulsion, an oil-in-water cream, a lotion, etc.) via a UI of a software application on the electronic communication device 40. The processing unit 12 of the apparatus 10 then performs a multi-objective optimization process on the computational model to determine a set of Pareto efficient solutions. Each solution is a composition of various substances to form a composition of the desired formulation type that meets the minimum product requirements. Information about at least one of the determined Pareto efficient compositions of substances of the desired formulation type is then provided, for example, to be presented on a UI of a software application on the electronic communication device 40 or to the data management system 20. Considering a specific formulation type when determining a composition can reduce the difference between the target sunscreen performance and the sunscreen performance measured in vivo, thereby reducing a large amount of in vivo testing at the user level.

[0142] FIG. 4A to FIG. 4B A possible implementation of a user interface 60 in the form of an interactively movable slider is shown. Figure 4A In the example of , three exemplary UV filter substances and two optimization targets are considered. The three exemplary UV filter substances are DHHB (INCI: Diethylamino Hydroxybenzoyl Hexyl Benzoate) (maximum concentration allowed in Europe is 10%), EHT (INCI: Ethylhexyl Triazone) (maximum concentration allowed in Europe is 5%) and MBBT (INCI: Methylene Bis-Benzotriazolyl Tetramethylbutylphenol) (maximum concentration allowed in Europe is 10%). The two exemplary optimization targets are the filtration efficiency and the minimum concentration of the solvent. By moving one of the target sliders, the system automatically adjusts the other target slider to follow the Pareto front. At the same time, the amount of UV filter substance that leads to the corresponding position on the Pareto front is calculated and indicated by the automatic positioning of the input slider. In this example, the regulatory limits of the three exemplary UV filter substances in a specific area are also specified.

[0143] exist Figure 4B In the example shown, the two optimization goals are the minimum concentration of UV filters and the minimum concentration of solvents. The minimum product requirements include: SPF of at least 30, UVA-PF of at least 10, critical wavelength of at least 370 nm, and all solid UV filters need to be dissolved. The UV filter substances are DHHB, EHT, BEMT (INCI: Bis-ethylhexyloxyphenol methoxyphenyl triazine) and DBT (INCI: Diethylhexyl butamido triazone). All filter substances are solid UV filters. By moving one of the target sliders, the system automatically adjusts the other target slider to follow the Pareto front. At the same time, the amount of UV filter substance that leads to the corresponding position on the Pareto front is calculated and indicated by the automatic positioning of the input slider. The right triangles on each side of the slider make it possible to limit the range of the corresponding optimization goal or the determined substance concentration. In this example, the optimized concentrations of four emollients are also shown, including Cetiol AB (INCI: C12-15 Alkyl Benzoate); Cetiol B (INCI: Dibutyl Adipate); Myritol 331 (INCI: Coco-Glycerides); Cetiol CC (INCI: Dicaprylyl Carbonate). Each Pareto effective solution ensures that all solid UV filters (DHHB, BEMT, DBT; EHT) are dissolved in the solvent at the determined Pareto effective concentration.

[0144] Table 1 shows an example of a Pareto front optimization solution for a sunscreen with an SPF of 50 and a UVA-PF / SPF protection of at least 1 / 3. In the example of Table 1, the Pareto front optimization solution is obtained based on the following items:

[0145] - Minimum product requirements: SPF of at least 50 and UVA-PF / SPF protection of at least 1 / 3 for a specifically selected UV filter combination; and the technical requirement that a defined concentration of solid UV filters must be dissolved in the solvent for a Pareto efficient solution.

[0146] -Optimize target parameters: minimum filter concentration and minimum solvent concentration.

[0147] A linear solubility model, including the solubility of each solid UV filter in each solvent; is used to define the technical requirement that a solid UV filter of a defined concentration in a Pareto efficient solution must be soluble in a solvent of a defined concentration in a Pareto efficient solution.

[0148]

[0149]

[0150] Table 1: Pareto efficient solutions

[0151] The optimization signal may be a finite set of points that approximate the Pareto set within a certain accuracy. To support the decision making process, it may be preferred to enable real-time navigation of the continuous Pareto set via the UI of the software application. Thus, linear interpolation may be performed between points on the Pareto set. The interpolation is done not only in the target space defined by a set of optimization target parameters, but also in the design space defined by the substance. The UI of the software application may allow the user to navigate the interpolated solution by moving a slider corresponding to the optimization target parameters.

[0152] exist Figure 5 One way in which the goal slider works is shown in Figure 1 for the simple case of two optimization goal parameters. During the change of the slider on one goal, a linear problem can be solved so that the remaining optimization goal parameters all change in an explicit way. In this way, the entire Pareto set is navigable and the trade-offs between different optimization goal parameters can be explored visually. This visual exploration can be done in a twofold way: on the one hand, moving one slider causes the other sliders to shift according to the shape of the Pareto set. This interaction between the values ​​on the sliders makes it possible to show the best compromise between conflicting optimization goal parameters. On the other hand, the user can limit the range of the sliders. Limiting the range of one of the optimization goal parameters will usually also affect the range of the other optimization goal parameters. This restriction of the decision space is also visualized, yielding information about which alternatives are still feasible and which are now not feasible.

[0153] In another example, it may be possible to limit the range of a slider for a certain concentration of a substance composition, such as the concentration of one or more UV filters (see, eg, solution 3 in Table 1).

[0154] although Figure 4A and Figure 4B The exemplary user interface may be shown by way of example in the form of an interactively movable slider, but it will be appreciated that other types of graphical control elements, such as a scroll bar, may be employed for a given implementation.

[0155] Figure 6 A flow chart describing a method 300 for providing a method of manufacturing a sun protection product is presented.

[0156] At block 310, for example, via Figure 2The UI of the software application on the electronic communication device 40 shown provides target performance characteristics of the desired sunscreen product. Examples of target performance characteristics may include, but are not limited to, estimated sun protection factor (SPF), estimated UVA protection factor (UVA-PF), critical wavelength, ratio of UVA to UVB protection, ratio of UVA1 to UV protection, blue light protection, free radical protection factor, and environmental impact factor. The user may have the opportunity to select one or more of these characteristics as a sunscreen performance target profile presented on the UI of the software application.

[0157] At block 320, based on the target performance characteristics, for example, Figure 1 and Figure 2 The device 10 shown, according to the method described herein, determines a composition comprising one or more UV filter substances and optionally one or more solvents. The information about the composition may include identifiers of the substances of the determined composition (e.g., IDs or common or scientific names of the substances) and the amount of each substance in the composition (e.g., in the form of a percentage of the final formulation).

[0158] Since different formulation types with the same UV filter composition can exhibit different sunscreen performance, a target performance feature can be defined for a specific formulation type (e.g., oil-in-water fluid emulsion, oil-in-water cream emulsion, etc.). In this example, the composition can be determined based on the target performance feature and the specific formulation type so that the difference between the target sunscreen performance and the sunscreen performance measured in vivo can be reduced. Examples of formulation types can include, but are not limited to, oil-in-water fluid emulsion, oil-in-water cream emulsion, water-in-oil emulsion, oil-in-water-in-oil emulsion, water-in-water-in-oil emulsion, water-in-water-in-silicone emulsion, silicone-in-water emulsion, polymer gel cream, lipophilic single-phase oil, lipophilic single-phase gel, lipophilic single-phase stick, lipophilic-alcohol mixture, hydrophilic single-phase fluid, hydrophilic single-phase gel, and powder.

[0159] In some examples, additional properties characterizing the composition can be provided based on the substances of the composition and the amount of each substance in the composition. Examples of properties can include, but are not limited to, a labeled SPF category, or a pass / fail indication of UVA protection according to the UVA-PF and critical wavelength defined in the EC Recommendation of September 22, 2006. This information can preferably be used to guide the production of sunscreen products.

[0160] At block 330, a sunscreen product is manufactured using a composition including one or more UV filter substances.

[0161] At block 340, measured performance characteristics of the manufactured sunscreen product are provided. For example, the measured performance characteristics may include characteristics such as achieved performance (SPF and / or UVA-PF), UVA / SPF ratio, and total concentration of UV filter substances.

[0162] At block 350 , the measured performance characteristics of the manufactured sunscreen product are compared to target performance characteristics of the sunscreen product to determine whether the manufactured sunscreen product meets predetermined quality standards.

[0163] The comparison can be performed by comparing one or more physical, chemical, or physico-chemical characteristics associated with the performance characteristic. For example, the target SPF can be compared to the measured SPF. The calculated critical wavelength can be compared to the measured critical wavelength of the composition.

[0164] The target performance characteristic may be mapped to the measured performance characteristic. In other words, a value corresponding to the performance characteristic may be determined from the target performance characteristic. In other embodiments, the measured performance characteristic may be mapped to the target performance characteristic. Both options are equally applicable.

[0165] The target performance characteristic and the measured performance characteristic or any corresponding values ​​derived therefrom are used for validation. Such validation can be performed by comparing values ​​or value ranges.

[0166] If these values ​​are within an acceptable range or values, such as a 1- or 2-standard deviation interval, the measured production composition may be valid in the sense that it meets the performance criterium or criteria. If these values ​​are not within an acceptable range, such as a 1- or 2-standard deviation interval, the measured production composition may be invalid in the sense that it does not meet the performance criterium or criteria.

[0167] If the produced composition is valid, for example, a control signal for the production process can be triggered at block 360. Such a control signal can be associated with the composition of the produced product. It can control dosing equipment used to dosing different substances used to make the product in the production process.

[0168] If the manufactured product is invalid, a warning signal to the production process operator may be triggered, for example, at block 370. Such a warning signal may indicate the invalidity of the manufactured product. The invalidity may trigger a stop signal for the production process. In this case, an optimization signal may be updated for the production of the manufactured product to achieve the target performance characteristics of the manufactured product.

[0169] Figure 7 An example of a flow chart describing a method 400 for authenticating the manufacture of a sun protection product is shown.

[0170] At block 410, existing performance characteristics (e.g., one or more measured physical, chemical, and / or physicochemical properties) of a sunscreen product that has been made from one or more substances are provided. The existing performance characteristics may include one or more of SPF, UVA-PF, critical wavelength, ratio of UVA to UVB protection, ratio of UVA1 to UV protection, blue light protection, free radical protection factor, and environmental impact factor.

[0171] In some examples, existing performance characteristics can be provided for a specific formulation type. For example, if an existing sunscreen product is formulated as an oil-in-water cream-lotion, the existing performance characteristics can be defined as the performance characteristics of the oil-in-water cream-lotion formulation.

[0172] At block 420, a composition is generated according to the methods described herein based on the existing performance characteristics. The generated composition and the currently manufactured sunscreen product include at least one different substance, such as for exchanging substances in the sunscreen product. There may be different reasons for wanting to exchange a substance, such as the existence of competing intellectual property rights, regulatory issues in different countries, or lack of resources.

[0173] In some examples, compositions can be determined based on target performance characteristics and a particular formulation type (eg, an oil-in-water cream emulsion) to reduce the difference between the target sun protection performance and the sun protection performance measured in vivo.

[0174] At block 430 , a product is manufactured based on the generated composition.

[0175] At block 440, the performance characteristics of the manufactured product are compared to existing performance characteristics of sunscreen products to verify the at least one different substance. If the comparison is within an acceptable range, then the at least one new substance is effective. On the other hand, if the comparison is not within an acceptable range, then the at least one different new substance is not effective.

[0176] If at least one different substance is available, then, for example, generation of a control signal for a production process based on the at least one substance may be triggered at block 450. Such a control signal may be associated with the composition of the sunscreen product including the at least one new substance. It may control dosing equipment configured to dosing different substances of the sunscreen product during the production process.

[0177] If at least one different substance is invalid, a warning signal to the production process operator may be triggered, for example at block 460. Such a warning signal may indicate that at least one new substance is invalid. This may trigger a stop signal for the production process.

[0178] Figure 8 An example of a production line 500 with a monitoring device 520 for manufacturing sun protection products is shown.

[0179] The production line 500 may include a dosing device 510 configured to dosing different substances of the sunscreen product during the production process. The production line 500 may include a conveyor system 530 to convey, for example, bottles, plastic packaging or other suitable packaging to be filled with the sunscreen product. The production line 500 may include a monitoring device 520 configured to monitor the quality of the sunscreen product during the production process.

[0180] Monitoring device 520 and / or dosing equipment device 510 can be configured to receive target performance characteristics of sunscreen products. The target performance characteristics can specify the composition data of sunscreen products including one or more UV filter substances. The target performance characteristics can include quality standards, such as SPF. Monitoring device 520 can be configured to provide composition data to dosing equipment. Dosing equipment 510 can be configured to control dosing based on the provided composition data.

[0181] The monitoring device 520 can be configured to measure one or more performance characteristics of the product produced. The monitoring device 520 can be configured to compare the physicochemical property or any value derived from the physicochemical property with the measured performance characteristic. If the comparison is within an acceptable range or value, the composition produced meets the quality standard. If the comparison is not within an acceptable range or value, the composition produced does not meet the quality standard. In the latter case, the monitoring unit can be configured to inform the operator or provide the adjusted composition data to the dosing equipment 510.

[0182] Fig. 9 Another example of a production line 600 with a verification device 610 for manufacturing sun protection products is shown.

[0183] The production line 600 may include a dosing device 620 configured to dosing different substances of the sunscreen product during the production process. The production line 600 may include a conveyor system 630 to convey, for example, bottles, plastic packaging or other suitable packaging to be filled with the sunscreen product. The production line 600 may include a verification device 610 configured to verify the production of the sunscreen product.

[0184] Verification device 610 can be configured to receive existing performance characteristics (e.g., SPF, UVA-PF, etc.) of sunscreen products. Verification device 610 can be configured to generate optimization signals based on existing performance characteristics. The optimization signal can include information about at least one new substance. Verification device 610 can be configured to verify at least one new substance used to produce sunscreen products. Verification device 610 can be configured to compare the performance characteristics of sunscreen products produced using the new optimization signal with the existing performance characteristics. Verification device 610 can be configured to provide composition data including at least one new substance to dosing equipment. The composition data can include the amount of at least one new substance.

[0185] Figure 8 and Fig. 9 Combinations and modifications of the embodiments shown in are also possible. Both methods illustrate the strength of the method as described herein. This allows for simplified and more reliable production by monitoring the production of sunscreen products or by verifying new substances (multiple) to be used in the manufacture of sunscreen products.

[0186] In another exemplary embodiment of the present invention, a computer program or a computer program element is provided, which is characterized by being adapted to execute the method steps of the method according to one of the preceding embodiments on a suitable system.

[0187] Therefore, the computer program elements can be stored on a computer unit, which can also be part of an embodiment of the present invention. The computing unit can be adapted to perform or cause the steps of the above method to be performed. In addition, the computing unit can be adapted to operate the components of the above device. The computing unit can be adapted to automatically operate and / or execute the user's commands. The computer program can be loaded into the working memory of a data processor. Therefore, the data processor can be equipped to perform the method of the present invention.

[0188] This exemplary embodiment of the invention covers both a computer program which right from the beginning uses the invention and a computer program which by means of an update turns an existing program into a program which uses the invention.

[0189] Furthermore, the computer program element may be capable of providing all necessary steps to complete the procedure of the exemplary embodiment of the method described above.

[0190] According to another exemplary embodiment of the invention, a computer readable medium, such as a CD-ROM, is presented, wherein the computer readable medium has stored thereon a computer program element, which has been described in the preceding section.

[0191] The computer program may be stored and / or distributed on a suitable medium, such as an optical storage medium or solid-state medium provided with or as part of other hardware, but may also be distributed in other forms, such as via the Internet or other wired or wireless telecommunications systems.

[0192] However, the computer program may also be presented via a network such as the World Wide Web and may be downloaded from such a network into a working memory of a data processor. According to another exemplary embodiment of the present invention, a medium for making a computer program element available for download is provided, the computer program element being arranged for performing a method according to one of the aforementioned embodiments of the present invention.

Claims

1. A computer-implemented method (200) for determining a composition comprising one or more UV filter substances, the method comprising the following steps: a) providing (210) input data via an input unit, the input data comprising: - a sun protection performance target profile comprising the minimum product requirements for the composition; and - a set of optimization target parameters, the set of optimization target parameters comprising two or more optimization target parameters; b) performing (220) a multi-objective optimization process on the computational model by the processing unit to determine a set of Pareto efficient solutions, wherein: - each solution is a composition of matter for forming the composition such that the composition meets the minimum product requirement; and - each solution is Pareto efficient with respect to the set of optimization objective parameters; and c) providing ( 230 ) at least one of the determined substance compositions via an output unit, the at least one substance composition preferably being usable for guiding the production of a sun protection product.

2. The computer-implemented method of claim 1, in, The input data further includes one or more technical requirements to constrain the Pareto efficient solutions to satisfy the one or more technical requirements.

3. The computer-implemented method of claim 2, in, The one or more technical requirements include one or more of the following: - a solubility model comprising solubility data for each solid filter agent in one or more solvents; - the assumed limits for the individual concentrations of each solvent; - the assumed limits for the individual concentrations of each filter; - the assumed limit of total filter concentration; and -Assumed limit for total solvent concentration.

4. The computer-implemented method according to claim 1 or 2, in, Each composition of matter includes at least one of the following: - one or more UV filter substances; - one or more UV filter substances and one or more solvents; - one or more UV filter substances in a certain type of formulation; and - one or more UV filter substances and one or more solvents in a certain formulation type.

5. The computer-implemented method of any preceding claim, further comprising: -Providing a graphical user interface GUI for Pareto front visualization, wherein the GUI provides an interactive user interface (60) that allows a user to navigate on the set of determined Pareto efficient solutions by adjusting the set of optimization target parameters and / or adjusting the formulation of at least one of the determined material compositions.

6. The computer-implemented method of claim 5, in, Interpolation is performed between points in the determined set of Pareto efficient solutions, and the GUI provides the interactive user interface that allows the user to navigate through the interpolated Pareto efficient solutions.

7. A computer-implemented method according to any one of the preceding claims, in, Minimum product requirements for this composition include one or more of the following: -Sun protection factor SPF; -UVA protection factor UVA-PF; - critical wavelength; - Ratio of UVA to UVB protection; - Ratio of UVA1 to UV protection; -Blue light protection; - Radical protection factor; - limiting concentration of the substance; - type of preparation, and - Environmental impact factor.

8. A computer-implemented method according to any one of the preceding claims, in, The set of optimization objective parameters includes two or more of the following: - minimum required UV filter concentration; - Filtration efficiency; - the amount of UV filters used; - Type of filter used - concentration of the solvent; - Type of solvent used; - minimum concentration of solvent; - Highest sun protection factor; -Highest UVA protection factor; -Highest blue light protection; - Highest environmental friendliness - Highest biodegradability, - Highest naturalness - the minimum cost of the substance composition, and - Similarity in composition to the filter material provided.

9. A method (300) for manufacturing a sunscreen product, the method comprising the following steps: - providing (310) desired target performance characteristics of a sunscreen product; - based on the target performance feature, determining (320) a composition comprising one or more UV filter substances according to the method of any of the preceding claims; and - Using the composition comprising one or more UV filter substances to manufacture (330) a sun protection product.

10. The method according to claim 9, further comprising: - providing (340) measured performance characteristics of the manufactured sunscreen product; as well as - Comparing (350) the measured performance characteristics of the manufactured sunscreen product with target performance characteristics of the desired sunscreen product to determine whether the manufactured sunscreen product meets predetermined quality standards.

11. A method (400) for verifying the manufacture of a sunscreen product, the method comprising the steps of: - providing (410) existing performance characteristics of sunscreen products that have been made from one or more substances; - generating (420) a composition based on the existing performance characteristics according to any one of methods 1 to 9, wherein the generated composition and the currently produced sunscreen product include at least one different substance; - producing (430) a product based on the resulting composition; and - Comparing (440) the measured performance characteristics of the produced product with existing performance characteristics of the sunscreen product to verify the at least one substance.

12. A device (10) for determining a composition comprising one or more UV filter substances, the device comprising one or more processing units configured to determine a composition of filter substances to form a sunscreen composition, wherein: The one or more processing units comprise instructions which, when executed on the one or more processing units, perform the method steps according to any one of claims 1 to 9.

13. A device for manufacturing a sunscreen product, the device comprising: - a controller module (520); as well as - manufacturing equipment (510); Wherein, the controller module is configured to control the manufacturing equipment to manufacture the sunscreen product according to claim 9 or 10.

14. An apparatus (610) for verifying the manufacture of a sunscreen product, the apparatus comprising one or more processing units configured to verify the production of a sunscreen product, wherein: The processing unit(s) comprise instructions which, when executed on the one or more processing units, perform the method according to claim 11 .

15. A computer program element comprising instructions which, when executed by a processing unit, cause the processing unit to perform the steps of the method according to any one of claims 1 to 9.

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