Igor I. Baskin

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Alexandre VarnekProfessor of Chemistry, University of StrasbourgAdresse e-mail validée de unistra.fr
Gilles MARCOUUniversité de StrasbourgAdresse e-mail validée de unistra.fr
Madzhidov, Timur I.ElsevierAdresse e-mail validée de elsevier.com
zhokhova NellyMoscow State UniversityAdresse e-mail validée de org.chem.msu.ru
Alfimov MikhailPhotochemistry center of the Russian academy of sciences (PC RAS)Adresse e-mail validée de photonics.ru
Igor V. TetkoBIGCHEM GmbH & Helmholtz MunichAdresse e-mail validée de helmholtz-munich.de
Alexander TropshaProfessor at UNC-Chapel HillAdresse e-mail validée de unc.edu
Héléna A. GasparAdresse e-mail validée de kcl.ac.uk
Artem CherkasovUniversity of British ColumbiaAdresse e-mail validée de interchange.ubc.ca
Winkler, D*CSIRO or Monash or La Trobe or Defence or Nottingham or PharmacyAdresse e-mail validée de latrobe.edu.au
Pavel KarpovResearcher, Moscow State University, Chemistry departmentAdresse e-mail validée de qsar.chem.msu.ru
Natalia KireevaSenior Scientific Researcher, Frumkin Institute of Physical Chemistry and Electrochemistry RASAdresse e-mail validée de phyche.ac.ru
Yair Ein-EliTechnionAdresse e-mail validée de technion.ac.il
Pavel PolishchukInstitute of Molecular and Translational Medicine, Palacky UniversityAdresse e-mail validée de upol.cz
Eugene RadchenkoDepartment of Chemistry, Lomonosov Moscow State UniversityAdresse e-mail validée de qsar.chem.msu.ru
Jürgen BajorathProfessor of Life Science Informatics, University of BonnAdresse e-mail validée de bit.uni-bonn.de
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Adresse e-mail validée de utoronto.ca
Olexandr IsayevCarl and Amy Jones Professor of Chemistry, Carnegie Mellon UniversityAdresse e-mail validée de olexandrisayev.com
Vladimir PoroikovInstitute of Biomedical ChemistryAdresse e-mail validée de ibmc.msk.ru
Irina TikhonovaQueen's University Belfast, NIH, INSERM, MSU

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Igor I. Baskin

Department of Materials Science and Engineering, Technion - Israel Institute of Technology

Adresse e-mail validée de technion.ac.il - Page d'accueil

Chemoinformatics Computational chemistry QSAR/QSPR AI in chemistry electrochemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	2090	2014
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... CHEMICAL SOCIETY REVIEWS 49 (11), 3716-3716, 2020	753	2020
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	676	2011
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	286	2012
A renaissance of neural networks in drug discovery II Baskin, D Winkler, IV Tetko Expert opinion on drug discovery 11 (8), 785-795, 2016	275	2016
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	275	2010
Chemoinformatics Approaches to Virtual Screening W Zheng, SR Johnson, I Baskin Royal Society of Chemistry, 2008	248*	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	182	2007
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	164	2012
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	158	2019
Chemoinformatics as a theoretical chemistry discipline A Varnek, II Baskin Molecular Informatics 30 (1), 20-32, 2011	144	2011
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	142	1993
Neural Networks in Building QSAR Models II Baskin, VA Palyulin, NS Zefirov David J. Livingstone Methods in Molecular Biology™ Artificial Neural …, 2008	131*	2008
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	119	1997
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	113	2015
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	108	2009
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	92	1995
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	85*	2003
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	83*	2001
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	81	2008

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