Computer Analysis of the Structure–Activity Relationship for Immunoactive Thiazolo[3,2-a]Benzimidazole Derivatives

Abstract

Computer analysis of the structure–activity relationship and purposeful design of effective immunomodulators among thiazolo[3,2-a]benzimidazole derivatives was performed. A mathematical recognition model was formulated. Immunomodulating activity of condensed azoles was predicted (80 – 100% learning recognition). Potentially active structures were generated. Their activities were predicted. Theoretical and experimental results agreed. The tested thiazolo[3,2-a]benzimidazole derivatives exhibited the predicted activities.