Generating two-class classification model for predicting chemical toxicity

摘要

A method includes: a) preparing as training data a sample set that contains a plurality of samples belonging to a first class and a plurality of samples belonging to a second class; b) generating, by performing discriminant analysis on the sample set, a first discriminant function having a high classification characteristic for the first class and a second discriminant function having a high classification characteristic for the second class; c) by classifying the sample set using the first and second discriminant functions, isolating any sample whose classification results by the first and second discriminant functions do not match; d) forming a new sample set by grouping together any sample thus isolated, and repeating b) and c) by using the new sample set; and e) causing d) to stop when the number of samples each of whose classification results do not match in c) has decreased to or below a predetermined value.