Computer modeling of new drugs based on the methods of swarm intelligence and immune network modeling

Abstract

The article is devoted to the development of an intellectual information system for conducting scientific research and for predicting the dependence "structure-property/activity" of new drugs based on algorithms of swarm intelligence and immune-network modeling. Selection of informative descriptors is carried out on the basis of a multi-algorithmic approach, which allows selecting the algorithm in which the generalization error will be minimal after immune network modeling. Algorithms are distinguished by the presence of customizable parameters that affect the productivity of an intelligent information system. Figs