Igor I. Baskin
Igor I. Baskin
Department of Materials Science and Engineering, Technion - Israel Institute of Technology
technion.ac.il üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
12252014
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
3672011
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
2112010
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
1842012
Chemoinformatics Approaches to Virtual Screening
W Zheng, SR Johnson, I Baskin
Royal Society of Chemistry, 2008
174*2008
QSAR without borders
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...
CHEMICAL SOCIETY REVIEWS 49 (11), 3716-3716, 2020
1652020
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
1572007
A renaissance of neural networks in drug discovery
II Baskin, D Winkler, IV Tetko
Expert opinion on drug discovery 11 (8), 785-795, 2016
1442016
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
1231993
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
1182012
Chemoinformatics as a theoretical chemistry discipline
A Varnek, II Baskin
Molecular Informatics 30 (1), 20-32, 2011
922011
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
842015
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
812009
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
801995
Neural Networks in Building QSAR Models
II Baskin, VA Palyulin, NS Zefirov
David J. Livingstone Methods in Molecular Biology™ Artificial Neural …, 2008
79*2008
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
76*2003
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
751997
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), 317-320, 2001
71*2001
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
692003
An approach to the interpretation of backpropagation neural network models in QSAR studies
II Baskin, AO Ait, NM Halberstam, VA Palyulin, NS Zefirov
SAR and QSAR in Environmental Research 13 (1), 35-41, 2002
682002
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20