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Information × Registration Number 0222U005413, 0121U111872 , R & D reports Title Investigations of the lipophilicity of fluorine-containing cycloalkylamides and their conformational equilibrium by the methods of quantum chemistry popup.stage_title Head Kyrylchuk Andrii A., Кандидат хімічних наук Registration Date 29-12-2022 Organization Institute of Organic Chemistry NAS of Ukraine popup.description2  Statistical processing of the obtained data and search of correlations with experimentally measured physicochemical quantities. This search is based on average molecular parameters weighted by the Boltzmann distribution of the relative energy of conformations, which will allow more accurate modeling of targets compared to the correlation with the properties of only one conformer. The analysis of the received data, preparation of publications and writing of the final report is carried out. It is planned to expand the application of the developed technique to other organic compounds that are important for medical chemistry. Product Description popup.authors Yehorov Dmytro Victorovich Kyrylchuk Andriy A popup.nrat_date 2022-12-29 Close