Digital Form Map Platform for Pharmaceutical Molecule Discovery
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Solution Overview
Problem
Conventional techniques for form discovery and selection in pharmaceutical materials are slow, error-prone, and lack clarity in understanding relationships between forms, leading to difficulties in drug discovery and redundancy in research and development efforts.
Innovation Solution
A digital form map platform that enables the capture, storage, visualization, and comparison of the form landscape of pharmaceutical materials and their intermediates in a centralized location, allowing for seamless integration and collaboration among multiple functions.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If manual exploration and manipulation techniques are used for form discovery, then scientists can discover forms through internal and external screening, but the process becomes slow and error-prone with lack of clarity in relationships between forms
Solution Approach 1:
The patent replaces manual mechanical exploration and manipulation with an automated computational system that uses algorithms and data processing to discover and analyze molecular forms. The system automatically screens forms, determines their properties, and maps relationships without human intervention in the actual discovery process, thereby increasing both speed and accuracy simultaneously.
Solution Approach 2:
The patent creates a digital replica or map of the molecular form landscape that captures all forms and their relationships in a structured data format. This digital copy allows rapid analysis, comparison, and exploration of form relationships without requiring physical manipulation of each form, enabling fast and accurate discovery while preserving complete information about form relationships.
2Loss of information
If conventional screening techniques are used, then forms can be discovered through standard research and development, but form information is not captured or stored as data requiring reimplementation and redundancy
Solution Approach 1:
The patent implements a universal data structure and storage system that captures form information in a standardized format suitable for multiple purposes: discovery, analysis, comparison, and reuse across different projects. This multi-functional system eliminates the need for separate data capture processes for each screening activity, preventing information loss while avoiding unnecessary complexity through standardization.
Solution Approach 2:
The system automatically captures, stores, and structures form information as data during the discovery process itself, without requiring separate manual documentation steps. The computational workflow inherently generates and preserves form data in a reusable format, eliminating information loss while keeping the system simple through automation rather than adding complex manual procedures.
3Loss of information
If manual form exploration is performed, then scientists can identify individual forms, but relationships between or among forms lack clarity and are not fully understood
Solution Approach 1:
The patent replaces manual analysis of form relationships with automated computational methods that process form data to identify and map relationships between forms. The system algorithms automatically determine connectivity, transformations, and hierarchical relationships among forms, providing clear understanding of the form landscape rapidly without time-consuming manual analysis.
Solution Approach 2:
The patent transforms the understanding of form relationships by creating a multi-dimensional digital map that visualizes and structures relationships across multiple dimensions simultaneously. This digital representation adds dimensional context to form relationships, making complex connections clear and understandable in ways that linear manual analysis cannot achieve, while providing rapid insights.
Data Source
AI summary
A computer-implemented method can comprise, at a display device, displaying, via the display device, a first user interface corresponding to one or more molecules; receiving, via the display device, one or more first user inputs associated with the one or more molecules, wherein the one or more first user inputs comprise selecting a subset of the one or more molecules; and in response to selecting the subset of the one or more molecules, displaying, via the display device, a second user interface corresponding to a form map associated with the subset of the one or more molecules.