Prediction model algorithm for biological toxicity of chemical molecules based on fuzzy neural network

A fuzzy neural network, biological toxicity technology, applied in the chemical industry, can solve the problems of unavailability, large errors, no substantive steps and research data, etc., to achieve the effect of high precision and small errors

Active Publication Date: 2019-02-19
SOUTHWEST PETROLEUM UNIV
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  • Abstract
  • Description
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AI Technical Summary

Benefits of technology

This patented technology helps researchers study how different types of substances can cause harm or even kill animals when exposed to them for various purposes like food production or water pollution control measures. It also predicts potential health hazards caused by these compounds based on their ability to absorb into tissues during absorption process. By studying this relationships from both physical properties and biochemistry, scientists have developed models that make better predictions about animal safety issues related to exposure levels.

Problems solved by technology

Technics: Current methods for controlling harmful organic compounds during production include monitoring their effects over time (toxic indicators) and treatments such as neutralizing them afterwards. However these techniques can lead to significant financial loss due to increased costs associated therewith. Additionally, current models cannot effectively handle complex materials like pesticides because they require multiple instrumentation systems and may result in unpredictable results.

Method used

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  • Prediction model algorithm for biological toxicity of chemical molecules based on fuzzy neural network
  • Prediction model algorithm for biological toxicity of chemical molecules based on fuzzy neural network
  • Prediction model algorithm for biological toxicity of chemical molecules based on fuzzy neural network

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Embodiment Construction

[0037] The present invention will be further described below in conjunction with the accompanying drawings and embodiments.

[0038] In this example, we select chemical molecules with different structures containing ethyl chloride. Through experiments, we can obtain the hydrophobicity of different molecules, that is, the logKow value, and the toxicity detection value of some substances. At the same time, using the above methods, we can The toxicity of different molecules is predicted, and finally by comparison, it can be seen that the error between the predicted value and the detected value is small, as shown in Table 1. Here we take the computational prediction of the toxicity of chlorine substituents in ethane molecules as an example.

[0039] according to figure 1 Shown, the chemical molecule biological toxicity prediction model algorithm based on adaptive fuzzy neural network of the present invention, the main steps are as follows:

[0040] 1. Establish biotoxicity (usin...

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Abstract

The invention discloses a prediction model algorithm for biological toxicity of chemical molecules based on a fuzzy neural network. A model prediction method based on the fuzzy neural network predictsand controls the biological toxicity of the chemical molecules in advance. For the problem that in the synthesis process of the chemical molecules, the influence of the hydrophobicity of the chemicalmolecules with different molecular structures on the biological toxicity has uncertainty, nonlinearity and other characteristics, and a precise model is difficult to establish in the synthesis process of the chemical molecules, a biological toxicity prediction model based on the fuzzy neural network is designed; through the adjustment of parameters of the fuzzy neural network, the method improvesthe processing capability of the neural network and achieves high-precision front-end prediction of the toxicity of chemical molecules. It is shown through experimental results that the method has good self-adaptivity, can predict and control the biological toxicity during the synthesis of the chemical molecules in advance, the cost of chemical synthesis is reduced, the time for chemical synthesis is shortened, and the pollution to the environment is reduced.

Description

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Claims

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Application Information

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Owner SOUTHWEST PETROLEUM UNIV
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