EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS

Abstract

New method of structural descriptors generation for the solving of QSAR tasks has been developed by authors. It is shown that mentioned approach allows generation of the set of structural parameters with the quite adequate level of description of molecules and their properties. Efficiency of developed approach was shown base on ACE ingibitors.

Keywords

• QSAR, молекулярні дескриптори, граф, інформаційне поле, гармонічний аналіз