SYSTEM, METHOD, AND PROGRAM FOR EVALUATING PERFORMANCE OF INTERMOLECULAR INTERACTION PREDICTING APPARATUS

摘要

The present invention provides a system, method, and program for evaluating the performance of an intermolecular interaction predicting apparatus. A performance evaluation system evaluates the performance of an intermolecular interaction predicting apparatus using a correlation between structure factors and physicochemical parameters of classification model construction compounds with high and low scores calculated by the intermolecular interaction predicting apparatus.