Igor I. Baskin
Igor I. Baskin
Leading Research Associate, Faculty of Physics, M.V.Lomonosov Moscow State University
Verified email at polly.phys.msu.ru - Homepage
TitleCited byYear
QSAR modeling: where have you been? Where are you going to?
A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ...
Journal of medicinal chemistry 57 (12), 4977-5010, 2014
7542014
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25 (6), 533-554, 2011
2482011
Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set
I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ...
Journal of chemical information and modeling 50 (12), 2094-2111, 2010
1662010
Chemoinformatics Approaches to Virtual Screening
W Zheng, SR Johnson, I Baskin
Royal Society of Chemistry, 2008
1512008
Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis?
A Varnek, I Baskin
Journal of chemical information and modeling 52 (6), 1413-1437, 2012
1332012
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
A Varnek, N Kireeva, IV Tetko, II Baskin, VP Solov'ev
Journal of chemical information and modeling 47 (3), 1111-1122, 2007
1322007
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)
MI Skvortsova, II Baskin, OL Slovokhotova, VA Palyulin, NS Zefirov
Journal of Chemical Information and Computer Sciences 33 (4), 630-634, 1993
1031993
A renaissance of neural networks in drug discovery
II Baskin, D Winkler, IV Tetko
Expert opinion on drug discovery 11 (8), 785-795, 2016
882016
Generative topographic mapping (GTM): universal tool for data visualization, structure‐activity modeling and dataset comparison
N Kireeva, II Baskin, HA Gaspar, D Horvath, G Marcou, A Varnek
Molecular informatics 31 (3‐4), 301-312, 2012
842012
Chemoinformatics as a theoretical chemistry discipline
A Varnek, II Baskin
Molecular Informatics 30 (1), 20-32, 2011
692011
Neural Networks in Building QSAR Models
II Baskin, VA Palyulin, NS Zefirov
David J. Livingstone Methods in Molecular Biology™ Artificial Neural …, 2008
67*2008
Novel photoswitchable receptors: synthesis and cation-induced self-assembly into dimeric complexes leading to stereospecific [2+ 2]-photocycloaddition of styryl dyes containing …
SP Gromov, EN Ushakov, OA Fedorova, II Baskin, AV Buevich, ...
The Journal of organic chemistry 68 (16), 6115-6125, 2003
672003
On the basis of invariants of labeled molecular graphs
II Baskin, MI Skvortsova, IV Stankevich, NS Zefirov
Journal of chemical information and computer sciences 35 (3), 527-531, 1995
671995
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients
A Varnek, C Gaudin, G Marcou, I Baskin, AK Pandey, IV Tetko
Journal of chemical information and modeling 49 (1), 133-144, 2009
662009
Prediction of physical properties of organic compounds using artificial neural networks within the substructure approach
NV Artemenko, II Baskin, VA Palyulin, NS Zefirov
Doklady Chemistry 381 (1-3), 317-320, 2001
65*2001
Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge
HA Gaspar, II Baskin, G Marcou, D Horvath, A Varnek
Journal of chemical information and modeling 55 (1), 84-94, 2015
642015
A neural device for searching direct correlations between structures and properties of chemical compounds
II Baskin, VA Palyulin, NS Zefirov
Journal of chemical information and computer sciences 37 (4), 715-721, 1997
591997
Photoswitchable molecular pincers: synthesis, self-assembly into sandwich complexes and ion-selective intramolecular [2+ 2]-photocycloaddition of an unsaturated bis-15-crown-5 …
SP Gromov, OA Fedorova, EN Ushakov, AV Buevich, II Baskin, ...
Journal of the Chemical Society, Perkin Transactions 2, 1323-1330, 1999
581999
Neuroprotective and Cognition‐Enhancing Properties of MK‐801 Flexible Analogs: Structure‐Activity Relationships
S Bachurin, S Tkachenko, I Baskin, N Lermontova, T Mukhina, L Petrova, ...
Annals of the New York Academy of Sciences 939 (1), 219-236, 2001
572001
Neural networks as a method for elucidating structure–property relationships for organic compounds
NM Halberstam, II Baskin, VA Palyulin, NS Zefirov
Russian chemical reviews 72 (7), 629-649, 2003
56*2003
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