METHOD OF PREDICTING TOXICITY OF CHEMICALS WITH RESPECT TO MICROORGANISMS AND METHOD OF EVALUATING BIOSYNTHETIC PATHWAYS BY USING THEIR PREDICTED TOXICITIES

摘要

Provided is a method of generating a toxicity prediction model for a microorganism, a method of predicting the toxicity of a chemical substance to a microorganism using the toxicity prediction model, and a method of assigning priorities to biosynthetic pathways for a target material using the toxicity prediction method.

主权项

1. A computer-implemented method of generating a toxicity prediction model, the method comprising:
receiving information on toxicity to a microorganism, structural properties, and physicochemical properties of one or more chemical substances; calculating molecular descriptors based on the information on structural properties and physicochemical properties; selecting molecular descriptors based on the calculated molecular descriptors and the information on toxicity; and generating a toxicity prediction model using the selected molecular descriptors to predict the toxicity of a chemical substance to the microorganism.