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Virtual Computational Chemistry Laboratory | ||||||
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Moscow State University 
Dr. V.A. Palyulin provided general management, creation of databases, preparation of papers, development of algorithms.
Prof. N.S. Zefirov participated in preparation of papers and creation of databases. Dr. I.I. Baskin developed descriptor modules. Dr. N.M. Galbershtam developed QSPR prediction module, new approach to structure-conditions-property relationships. Dr. E.V. Radchenko programmed PLS program. Dr. M.I. Skvortsova developed theoretical basis and algorithms for the application of basis of graph invariants in QSAR/QSPR programs. Mr. K.S. Fedyaev developed descriptor module based on substructures of special kinds, prepared articles.
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Copyright 2001 -- 2023 https://vcclab.org. All rights reserved. |
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