STUDY OF THE BIOLOGICAL ACTIVITY OF THE COMPLEX COMPOUND [Cu (Tsk)2](Glu)2 USING THE PASS ONLINE PROGRAM

Аннотация

A powerful set of methods for predicting the biological activity of chemical compounds on a computer is methods based on Bayesian probability. The Pass software package is a program capable of predicting the biological activity spectra of chemical compounds known to date. The Pass program (online) is based on the study of the biological activity of substances depending on their structure. This program contains known Pa and Pi values for the substance, these values represent the theoretical probability. That is, Pa is pharmacologically active, Pi is pharmacologically inactive. If Pa >0.71, such a molecule is considered active. The online pass program works on the principle of structural biological activity. In this case, the value of Pa determines the pharmacological activity of the substance against a certain disease, and the value of Pi determines the low pharmacological activity against this disease.