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Information × Registration Number 0210U001826, 0109U000617 , R & D reports Title Effective komp'yuterni technologies of authentication and prognostication of biological activity of difficult organic molecules popup.stage_title Head Ivanov Vladimir, Registration Date 13-04-2010 Organization Kharkov National University named after V.N. Karazin popup.description2 The purpose of the research project: elaboration of the methods and computer algorithms for building and analyzing molecular fields with the aim of prediction of molecular properties. Objects of investigation: electronic properties of molecules; molecular descriptors; bio-active molecules. Methods applied: computer modeling, coupled-cluster theory, cluster analysis, non-linear least squares method, quantitative physical-chemical analysis. Product Description popup.authors Іванов В. Кліменко Т. Лях Д. Пантелеймонов А. popup.nrat_date 2020-04-02 Close