Alexandre Varnek
Alexandre Varnek
Professor of Chemistry, University of Strasbourg
Підтверджена електронна адреса в unistra.fr
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Посилання
Посилання
Рік
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
8032014
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable …
IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ...
Journal of chemical information and modeling 48 (9), 1733-1746, 2008
3012008
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
2622011
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis
H Zhu, A Tropsha, D Fourches, A Varnek, E Papa, P Gramatica, T Oberg, ...
Journal of chemical information and modeling 48 (4), 766-784, 2008
2442008
Chemoinformatics Approaches to Virtual Screening
DA Filimonov, VV Poroikov, A Varnek, A Tropsha
Cambridge: Royal Society of Chemistry, 2008
242*2008
Chemoinformatics Approaches to Virtual Screening
II Baskin, A Varnek
Cambridge: RSC Publ, 2008
193*2008
ISIDA-Platform for virtual screening based on fragment and pharmacophoric descriptors
A Varnek, D Fourches, D Horvath, O Klimchuk, C Gaudin, P Vayer, ...
Current Computer-Aided Drug Design 4 (3), 191, 2008
1892008
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
A Varnek, D Fourches, F Hoonakker, VP Solov’ev
Journal of computer-aided molecular design 19 (9-10), 693-703, 2005
1852005
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
1722010
Predicting the predictability: a unified approach to the applicability domain problem of QSAR models
H Dragos, M Gilles, V Alexandre
Journal of chemical information and modeling 49 (7), 1762-1776, 2009
1462009
Estimation of the size of drug-like chemical space based on GDB-17 data
PG Polishchuk, TI Madzhidov, A Varnek
Journal of computer-aided molecular design 27 (8), 675-679, 2013
1452013
CERAPP: collaborative estrogen receptor activity prediction project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental health perspectives 124 (7), 1023-1033, 2016
1442016
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
1402012
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
1372007
Koordinatsionnye soedineniya metallov s kraun-efirami (Coordination Compounds of Metals with Crown Ethers)
AY Tsivadze, AA Varnek, VE Khutorskii
Moscow: Nauka, 1991
120*1991
Koordinatsionnye Soedineniya Metallov s Kraun-Efirami
AY Tsivadze, AA Varnek, VE Khutorskii
Coordination Compounds of Metals with Crown Ethers, 1991
116*1991
Molecular dynamics study of p-tert-butylcalix [4] arenetetraamide and its complexes with neutral and cationic guests. Influence of solvation on structures and stabilities
P Guilbaud, A Varnek, G Wipff
Journal of the American Chemical Society 115 (18), 8298-8312, 1993
961993
ISIDA Property‐Labelled Fragment Descriptors
F Ruggiu, G Marcou, A Varnek, D Horvath
Molecular informatics 29 (12), 855-868, 2010
942010
Correlation of blood–brain penetration using structural descriptors
AR Katritzky, M Kuanar, S Slavov, DA Dobchev, DC Fara, M Karelson, ...
Bioorganic & medicinal chemistry 14 (14), 4888-4917, 2006
932006
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
912012
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