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SAR and QSAR in Environmental Research|June 23, 2009
Design of topological indices: computer-oriented approachM I Skvortsova, V A Palyulin, N S ZefirovJournal of Chemical Information and Computer Sciences|August 14, 2001
QSAR for boiling points of "small" sulfides. Are the "high-quality structure-property-activity regressions" the real high quality QSAR models?N S Zefirov, V A PalyulinDoklady. Biochemistry and Biophysics|May 17, 2017
Molecular design of proneurogenic and neuroprotective compounds-allosteric NMDA receptor modulatorsD S Karlov, E V Radchenko, V A Palyulin, et al.Journal of Molecular Graphics & Modelling|February 26, 2008
Molecular modeling of modified peptides, potent inhibitors of the xWNT8 and hWNT8 proteinsA E Voronkov, I I Baskin, V A Palyulin, et al.Doklady. Biochemistry and Biophysics|November 7, 2016
Prediction of blood-brain barrier permeability of organic compoundsA S Dyabina, E V Radchenko, V A Palyulin, et al.SAR and QSAR in Environmental Research|June 20, 2002
A new scheme for electronegativity equalization as a source of electronic descriptors: application to chemical reactivityA A Oliferenko, P V Krylenko, V A Palyulin, et al.SAR and QSAR in Environmental Research|January 5, 2002
The learned symmetry concept in revealing quantitative structure-activity relationships with artificial neural networksI I Baskin, N M Halberstam, T V Mukhina, et al.SAR and QSAR in Environmental Research|June 21, 2002
An approach to the interpretation of backpropagation neural network models in QSAR studiesI I Baskin, A O Ait, N M Halberstam, et al.Doklady. Biochemistry and Biophysics|November 1, 2015
Novel bivalent positive allosteric modulators of AMPA receptorM I Lavrov, V V Grigor'ev, S O Bachurin, et al.SAR and QSAR in Environmental Research|March 4, 2008
Fast tools for calculation of atomic charges well suited for drug designD A Shulga, A A Oliferenko, S A Pisarev, et al.Pageof 4