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Igor I. Baskin
Igor I. Baskin
Department of Materials Science and Engineering, Technion - Israel Institute of Technology
Verified email at technion.ac.il - Homepage
Title
Cited by
Cited by
Year
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
18352014
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, 533-554, 2011
5812011
QSAR without borders
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...
CHEMICAL SOCIETY REVIEWS 49 (11), 3716-3716, 2020
5572020
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
2622012
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
2482010
A renaissance of neural networks in drug discovery
II Baskin, D Winkler, IV Tetko
Expert opinion on drug discovery 11 (8), 785-795, 2016
2452016
Chemoinformatics Approaches to Virtual Screening
W Zheng, SR Johnson, I Baskin
Royal Society of Chemistry, 2008
215*2008
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
1742007
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
1522012
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
1371993
De novo molecular design by combining deep autoencoder recurrent neural networks with generative topographic mapping
B Sattarov, II Baskin, D Horvath, G Marcou, EJ Bjerrum, A Varnek
Journal of chemical information and modeling 59 (3), 1182-1196, 2019
1312019
Chemoinformatics as a theoretical chemistry discipline
A Varnek, II Baskin
Molecular Informatics 30 (1), 20-32, 2011
1242011
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
1121997
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
1092015
Neural Networks in Building QSAR Models
II Baskin, VA Palyulin, NS Zefirov
David J. Livingstone Methods in Molecular Biology™ Artificial Neural …, 2008
108*2008
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
1022009
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
891995
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
83*2003
Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
I Baskin, A Varnek
Chemoinformatics Approaches to Virtual Screening, 1-43, 2008
792008
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, 317-320, 2001
78*2001
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