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
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[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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