Varnek Alexandre
Количество цитирований статей в журналах по данным
Web of Science: 1343,
Scopus: 1414
IstinaResearcherID (IRID): 444772
Деятельность
-
Статьи в журналах
-
-
2021
Machine learning modelling of chemical reaction characteristics: yesterday, today, tomorrow
-
Madzhidov Timur I.,
Rakhimbekova Assima,
Afonina Valentina A.,
Gimadiev Timur R.,
Mukhametgaleev Ravil N.,
Nugmanov Ramil I.,
Baskin Igor I.,
Varnek Alexandre
-
в журнале Mendeleev Communications, издательство Elsevier BV (Netherlands), том 31, № 6, с. 769-780
DOI
-
-
2021
Pre-Steady-State Kinetics of the SARS-CoV-2 Main Protease as a Powerful Tool for Antiviral Drug Discovery
-
Zakharova Maria Yu,
Kuznetsova Alexandra A.,
Uvarova Victoria I.,
Fomina Anastasiia D.,
Kozlovskaya Liubov I.,
Kaliberda Elena N.,
Kurbatskaia Inna N.,
Smirnov Ivan V.,
Bulygin Anatoly A.,
Knorre Vera D.,
Fedorova Olga S.,
Varnek Alexandre,
Osolodkin Dmitry I.,
Ishmukhametov Aydar A.,
Egorov Alexey M.,
Gabibov Alexander G.,
Kuznetsov Nikita A.
-
в журнале Frontiers in pharmacology, издательство Frontiers Media] ([Lausanne, Switzerland), том 12
DOI
-
-
2020
A Chemographic Audit of anti-Coronavirus Structure-Activity Information from Public Databases (ChEMBL)
-
Horvath Dragos,
Orlov Alexey,
Osolodkin Dmitry I.,
Ishmukhametov Aydar A.,
Marcou Gilles,
Varnek Alexandre
-
в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 39, с. 2000080
DOI
-
-
-
-
2019
Getting to Know the Neighbours with GTM: the Case of Antiviral Compounds
-
Orlov Alexey A.,
Khvatov Evgeny V.,
Koruchekov Alexander A.,
Nikitina Anastasia A.,
Zolotareva Anastasia D.,
Eletskaya Anastasia A.,
Kozlovskaya Liubov I.,
Palyulin Vladimir A.,
Horvath Dragos,
Osolodkin Dmitry I.,
Varnek Alexandre
-
в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 38, с. 1800166
DOI
-
-
2019
QSPR modeling of potentiometric sensitivity towards heavy metal ions for polymeric membrane sensors
-
Vitaly Soloviev,
Alexander Varnek,
Vasily Babain,
Valery Polukeev,
Julia Ashina,
Evgeny Legin,
Andrey Legin,
Dmitry Kirsanov
-
в журнале Sensors and Actuators, B: Chemical, издательство Elsevier BV (Netherlands), том 301, с. 126941
DOI
-
-
2016
Predictive Models for Halogen-Bond Basicity of Binding Sites of Polyfunctional Molecules
-
Glavatskikh M.,
Madzhidov T.,
Solov’ev V.,
Marcou G.,
Horvath D.,
Graton J.,
Le Questel J.Y.,
Varnek A.
-
в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 35, № 2, с. 70-80
DOI
-
-
2014
Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules
-
Ruggiu F.,
Solov'ev V.,
Marcou G.,
Horvath D.,
Graton J.,
Le Questel J.Y.,
Varnek A.
-
в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 33, № 6-7, с. 477-487
DOI
-
-
2012
Complexation of Mn2+, Fe2+, Y3+, La3+, Pb2+, and UO22+ with Organic Ligands: QSPR Ensemble Modeling of Stability Constants
-
Solov’ev V.,
Marcou G.,
Tsivadze A.Yu,
Varnek A.
-
в журнале Industrial and Engineering Chemistry Research, издательство American Chemical Society (United States), том 51, № 41, с. 13482-13489
DOI
-
-
2012
Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison
-
Kireeva N.,
Baskin I.I.,
Gaspar H.A.,
Horvath D.,
Marcou G.,
Varnek A.
-
в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 31, № 3-4, с. 301-312
DOI
-
-
2012
Interpretability of SAR/QSAR Models of any Complexity by Atomic Contributions
-
Marcou G.,
Horvath D.,
Solov’ev V.,
Arrault A.,
Vayer P.,
Varnek and A.
-
в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 31, с. 639-642
DOI
-
-
-
-
2012
Stability Constants of Complexes of Zn2+, Cd2+, and Hg2+ with Organic Ligands: QSPR Consensus Modeling and Design of New Metal Binders
-
Solov’ev V.,
Sukhno I.,
Buzko V.,
Polushin A.,
Marcou G.,
Tsivadze A.,
Varnek A.
-
в журнале JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, том 72, № 3-4, с. 309-321
DOI
-
-
2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
-
Sushko I.,
Novotarskyi S.,
Koerner R.,
Pandey A.K.,
Rupp M.,
Teetz W.,
Brandmaier S.,
Abdelaziz A.,
Prokopenko V.V.,
Tanchuk V.Y.,
Todeschini R.,
Varnek A.,
Marcou G.,
Ertl P.,
Potemkin V.,
Grishina M.,
Gasteiger J.,
Schwab C.,
Baskin I.I.,
Palyulin V.A.,
Radchenko E.V.,
Welsh W.J.,
Kholodovych V.,
Chekmarev D.,
Cherkasov A.,
Aires-de-Sousa J.,
Zhang Q.Y.,
Bender A,
Nigsch F.,
Patiny L.,
Williams A.,
Tkachenko V.,
Tetko I.V.
-
в журнале Journal of Computer-Aided Molecular Design, издательство Springer Nature (Switzerland), том 25, № 6, с. 533-554
DOI
-
-
-
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set
-
Sushko Iurii,
Novotarskyi Sergii,
Körner Robert,
Pandey Anil Kumar,
Cherkasov Artem,
Jiazhong Li,
Gramatica Paola,
Hansen Katja,
Schroeter Timon,
Müller Klaus-Robert,
Lili Xi,
Liu Huanxiang,
Yao Xiaojun,
Öberg Tomas,
Hormozdiari Farhad,
Dao Phuong,
Sahinalp Cenk,
Todeschini Roberto,
Polishchuk Pavel,
Artemenko Anatoliy,
Kuz’min Victor,
Martin Todd M.,
Young Douglas M.,
Fourches Denis,
Muratov Eugene,
Tropsha Alexander,
Baskin Igor,
Horvath Dragos,
Marcou Gilles,
Muller Christophe,
Varnek Alexander,
Prokopenko Volodymyr V.,
Tetko Igor V.
-
в журнале Journal of Chemical Information and Modeling, издательство American Chemical Society (United States), том 50, № 12, с. 2094-2111
DOI
-
-
-
-
-
-
2008
ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors
-
Varnek A.,
Fourches D.,
Horvath D.,
Klimchuk O.,
Gaudin С.,
Vayer P.,
Solov’ev V.,
Hoonakker F.,
Tetko I.V.,
Marcou G.
-
в журнале Current Computer-Aided Drug Design, издательство Bentham Science Publishers (Netherlands), том 4, № 3, с. 191-198
DOI
-
-
-
-
-
2006
Correlation of Blood – Brain Penetration Using Structural Descriptors
-
Katritzky A.R.,
Kuanar M.,
Slavov S.,
Dobchev D.A.,
Fara D.C.,
Karelson M.,
Acree W.E.Jr,
Solov’ev V.P.,
Varnek A.
-
в журнале Bioorganic and Medicinal Chemistry, издательство Pergamon Press Ltd. (United Kingdom), том 14, № 14, с. 4888-4917
DOI
-
Статьи в сборниках
-
Доклады на конференциях
-
-
-
2018
Tautomeric Equilibria: Modeling and Visualization
(Стендовый)
-
Авторы:
Glavatskikh M.,
Madzhidov T.,
Baskin I.,
Horvath D.,
Nugmanov R.,
Gimadiev T.,
Marcou G.,
Varnek A.
-
Third International School-Seminar "From Empirical to Predictive Chemistry", Казань, Россия, 5-7 апреля 2018
-
-
-
-
-
-
-
-
-
-
-
-
2011
The PIR-project: Modelling of the acidity (pKa) and hydrophobicity (CHI) of the CNE
-
Авторы:
Gizzi P.,
Galzi J.L.,
Horvath D.,
Баскин И.И.,
Varnek A.,
Ruggiu F.,
Marcou G.
-
5ème Journée de la Société Français de Chémoinformatique, Casino de Cabourg, France, Франция, 2011
-
-
2011
The use of Generative Topographic Maps (GTM) for data visualization, comparison of databases and predicting activity profiles
-
Авторы:
Баскин И.И.,
Gaspar H.A.,
Horvath D.,
Varnek A.,
Киреева Н.В.,
Marcou G.
-
5ème Journée de la Société Français de Chémoinformatique, Casino de Cabourg, France, Франция, 2011
-
-
-
-
-
-
-
-
Тезисы докладов
-
-
2018
Tautomeric Equilibria: Modeling and Visualization
-
Glavatskikh M.,
Madzhidov T.,
Baskin I.,
Horvath D.,
Nugmanov R.,
Gimadiev T.,
Marcou G.,
Varnek A.
-
в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 46
-
-
2016
Predictive models for diiodine basicity scale of halogen bond
-
Glavatskikh M.,
Madzhidov T.,
Solov’ev V.,
Horvath D.,
Marcou G.,
Varnek A.
-
в сборнике Book of Abstracts and Scientific Program. International School-Seminar on Computer-Aided Molecular Design. May 18-20, 2016, место издания Kazan, Russia, тезисы, с. 14
-
-
2016
Thermodynamics of hydrogen bonding: from experimental measurements to structure-property modeling
-
Solov’ev V.,
Glavatskikh M.,
Madzhidov T.,
Horvath D.,
Marcou G.,
Varnek A.
-
в сборнике Book of Abstracts and Scientific Program. International School-Seminar on Computer-Aided Molecular Design. May 18-20, 2016, место издания Kazan, Russia, тезисы, с. 17
-
-
-
-
2012
Generative Topographic Mapping: a universal tool for chemical space visualization, activity prediction and databases comparison
-
Gaspar H.A.,
Kireeva N.,
Marcou G.,
Баскин И.И.,
Varnek A.
-
в сборнике 3rd Strasbourg Summer School in Chemoinformatics, 25-29 June 2012, Strasbourg, France, тезисы, с. 45
-
-
-
2011
Navigating the Chemical Reaction Space: Self-Organizing Maps vs. Genarative Topographic Maps
-
de Luca A.,
Baskin I.I.,
Horvath D.,
Kireeva N.,
Ruggiu F.,
Varnek A.
-
в сборнике 5ème Journée de la Société Français de Chémoinformatique, 13, 14 Oct. 2011, Casino de Cabourg, тезисы, с. 30
-
-
-
-
-
2011
The PIR-project: Modelling of the acidity (pKa) and hydrophobicity (CHI) of the CNE
-
Ruggiu F.,
Gizzi P.,
Galzi J.L.,
Horvath D.,
Marcou G.,
Baskin I.I.,
Varnek A.
-
в сборнике 5ème Journée de la Société Français de Chémoinformatique, 13, 14 Oct. 2011, Casino de Cabourg, тезисы, с. 50
-
-
2011
The use of Generative Topographic Maps (GTM) for data visualization, comparison of databases and predicting activity profiles
-
Kireeva N.,
Baskin I.I.,
Gaspar H.A.,
Horvath D.,
Marcou G.,
Varnek A.
-
в сборнике 5ème Journée de la Société Français de Chémoinformatique, 13, 14 Oct. 2011, Casino de Cabourg, тезисы, с. 37
-
-