ANALYSIS AND PREDICTION OF LIPOPHILICITY OF DRUGS ON THE BASIS OF PHYSICO-CHEMICAL PROPERTIES
The article deals with mathematical models and software tools that allow to conduct a comparative analysis of methods of prediction of lipophilicity of drugs on the basis of physico-chemical properties. In the models, the factors are: the number of donors and acceptors of hydrogen in the formation of a hydrogen bond, the number of rotating bonds and the ionization constant of a molecule of a drug substance, the molecular mass, the area of the topological polar surface. Computational experiments have been carried out to demonstrate the efficiency of the proposed models.