IDENTIFICATION OF THE PHARMACOLOGICAL PROPERTIES OF A CHEMICAL COMPOUND ON THE BASIS OF PREDICTING THE RESULTS OF PRECLINICAL LABORATORY TESTS

The method of determining the pharmacological properties of a chemical compound based on the prediction of the results of preclinical laboratory tests was presented. The results of preclinical trials are used to obtain information about the safety of the product under development both for the purposes of preclinical studies and throughout the entire drug cycle. The proposed approach makes it possible to determine the presence of specific pharmacological properties of chemicals in the compound intended for preclinical testing. The method includes conducting a factor analysis in order to identify the most significant features that affect the pharmacological activity of the observed synthesized chemical compound. Further, on the basis of the selected factors, a predictive model is built. The model uses data on the quantitative characteristics of the substance and a description of the target involved in the study. The developed approach essentially decreases the period of preclinical studies of new medicines