Построение оптимальной иммунносетевой модели для компьютерного молекулярного дизайна сульфаниламидов на основе алгоритма Random Forest

Abstract

The article is devoted to research in the field of the computer molecular design of the new drugs sulfonamides on the basis of immune network technology. As a method of the data pre-processing to extraction of the informative descriptors and building of the optimal immune network model presented the Random Forest algorithm, which allows to rank variables in the order of importance.