ИСТИНА

Marcou Gilles

Соавторы: Varnek A., Соловьев В.П., Horvath D., Баскин И.И., Киреева Н.В., Tetko I.V., Fourches D., Glavatskikh M., Varnek A.A., Маджидов Т.И., Gaspar H.A., Pandey A.K., Vayer P. показать полностью..., Cherkasov A., Gaudin C., Graton J., Novotarskyi S., Prokopenko V.V., Ruggiu F., Sushko I., Todeschini R., Цивадзе А.Ю., Abdelaziz A., Aires-de-Sousa J., Arrault A., Artemenko A., Bender A., Bonachera F., Brandmaier S., Chekmarev D., Chupakhin V.I., Dao P., Dragoy, Ertl P., Galzi J.L., Gasteiger J., Gaudin С., Gimadiev T.R., Gizzi P., Gramatica P., Grishina M., Hansen N., Hoonakker F., Hormozdiari F., Ishmukhametov A., Jiazhong L., Kholodovych V., Koerner R., Kuz’min V., Körner R., Le Questel J.Y., Le Questel J.Y., Lili X., Liu H., Martin M., Mueller C., Muratov E., Müller K., Nigsch F., Nougmanov R.I., Oprisiu I., Patiny L., Polishchuk P., Potemkin V., Rupp M., Sahinalp C., Schroeter T., Schwab C., Tanchuk V.Y., Teetz W., Tkachenko V., Tropsha A., Welsh W.J., Williams A., Yao X., Young D.M., Zhang Q., de Luca A., Öberg T., Киреева Н., Орлов А.А., Осолодкин Д.И., Палюлин В.А., Радченко Е.В.

17 статей, 11 докладов на конференциях, 13 тезисов докладов

Количество цитирований статей в журналах по данным Web of Science: 904, Scopus: 965

IstinaResearcherID (IRID): 444773

Деятельность

• Статьи в журналах

  • 
    • 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 Classification of Metal Binders by Naıve Bayes Classifier on the Base of Molecular Fragment Descriptors and Ensemble Modeling
    • Solov’ev Vitaly, Tsivadze Aslan, Marcou Gilles, Varnek Alexandre
    • в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 38, с. 1900002 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 Mining Chemical Reactions Using Neighborhood Behavior And Condensed Reactions Graphs Approaches
    • De Luca A., Horvath D., Marcou G., Solov'ev V., Varnek A.
    • в журнале Journal of Chemical Information and Modeling, издательство American Chemical Society (United States), том 52, № 9, с. 2325-2338 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
  • 
    • 2012 Using self-organizing maps to accelerate similarity search
    • Bonachera Fanny, Marcou Gilles, Kireeva Natalia, Varnek Alexandre, Horvath Dragos
    • в журнале Bioorganic and Medicinal Chemistry, издательство Pergamon Press Ltd. (United Kingdom), том 20, № 18, с. 5396-5409
  • 
    • 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
  • 
    • 2011 Quantitative Structure Property Relationship (QSPR) Modeling of Normal Boiling Point Temperature and Composition of Binary Azeotropes
    • Solov’ev V., Oprisiu I., Marcou G., Varnek A.
    • в журнале Industrial and Engineering Chemistry Research, издательство American Chemical Society (United States), том 50, № 24, с. 14162-14167 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
  • 
    • 2009 Data integration and knowledge transfer: application to the tissue: air partition coefficients
    • Gaudin C., Marcou G., Vayer P., Tetko I., Baskin I., Varnek A.
    • в журнале Chemistry Central Journal, издательство Chemistry Central (United Kingdom), том 3, с. 1-1 DOI
  • 
    • 2009 Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients
    • Varnek Alexandre, Gaudin Cédric, Marcou Gilles, Baskin Igor, Pandey Anil Kumar, Tetko Igor V.
    • в журнале Journal of Chemical Information and Modeling, издательство American Chemical Society (United States), том 49, № 1, с. 133-144 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

• Статьи в сборниках

  • 
    • 2010 Tutorial on Ensemble Learning
    • Baskin I.I., Marcou G., Varnek A.
    • в сборнике 2nd Chemoinformatics Strasbourg Summer School, 20-24 June 2010, Obernai, France

• Доклады на конференциях

  • • 2018 THE ISIDA_NB PROGRAM: CONSENSUS NAÏVE BAYESIAN MODELING ON FRAGMENT DESCRIPTORS (Устный)
    • Авторы: Solov'ev V., Marcou G., Varnek A.
    • Third International School-Seminar "From Empirical to Predictive Chemistry", Казань, Россия, 5-7 апреля 2018
  • • 2018 Tautomeric Equilibria: Modeling and Visualization (Стендовый)
    • Авторы: Glavatskikh M., Madzhidov T., Baskin I., Varnek A., Nugmanov R., Gimadiev T., Marcou G., Horvath D.
    • Third International School-Seminar "From Empirical to Predictive Chemistry", Казань, Россия, 5-7 апреля 2018
  • • 2016 Thermodynamics of Hydrogen Bonding: from Experimental Measurements to Structure-Property Modeling (Приглашенный)
    • Авторы: Solov’ev Vitaly, Glavatskikh Marta, Madzhidov Timur, Horvath Dragos, Marcou Gilles, Varnek Alexandre
    • International School-Seminar on Computer-Aided Molecular Design, Казань, Россия, 18-20 мая 2016
  • • 2015 QSPR MODELS FOR HALOGEN BOND STRENGTH (Приглашенный)
    • Авторы: Solov’ev Vitaly, Glavatskikh Marta, Varnek Alexandre, Marcou Gilles, Horvath Dragos, Madzhidov Timur
    • Second Kazan Summer School on Chemoinformatics, July 6-9, 2015, Kazan, Russia, Kazan, Россия, 6-9 июля 2015
  • • 2014 Toward an Expert System for Optimization of Chemical reactions
    • Авторы: Varnek A., Marcou G., Horvath D., Klimchuk O., Baskin I., Madzhidov T., Antipin I.
    • XXVI Международная Чугаевская конференция по координационной химии, Казань, Россия, 6-10 октября 2014
  • • 2012 Generative Topographic Mapping: a universal tool for chemical space visualization, activity prediction and databases comparison
    • Авторы: Киреева Н.В., Marcou G., Varnek A., Gaspar H.A., Баскин И.И.
    • 3rd Strasbourg Summer School in Chemoinformatics, Strasbourg, France, Франция, 2012
  • • 2011 Prediction of protein-ligand interaction fingerprints
    • Авторы: Varnek A., Chupakhin V.I., Баскин И.И., Rognan D., Marcou G.
    • 4th International Symposium “Methods and Applications of Computational Chemistry”, Lviv, Украина, 2011
  • • 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., Marcou G., Varnek A., Киреева Н.В., Horvath D.
    • 5ème Journée de la Société Français de Chémoinformatique, Casino de Cabourg, France, Франция, 2011
  • • 2010 Exploring Linear Separable Problems in Chemistry
    • Авторы: Marcou G., Баскин И.И., Horvath D., Varnek A.
    • 18th EuroQSAR. Discovery Informatics & Drug Design, Rhodes, Greece, Греция, 2010
  • • 2008 Data Integration and Knowledge transfer: Application to the tissue:air partition coefficients
    • Авторы: Gaudin C., Marcou G., Vayer P., Tetko I.V., Баскин И.И., Varnek A.
    • 4th German Conference on Chemoinformatics, Goslar, Germany, Германия, 2008

• Тезисы докладов

  • • 2018 THE ISIDA_NB PROGRAM: CONSENSUS NAÏVE BAYESIAN MODELING ON FRAGMENT DESCRIPTORS
    • Solov'ev V., Varnek A., Marcou G.
    • 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. 22-22
  • • 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
  • • 2015 Predictive models for halogen bond basicity scale PKI2
    • Glavatskikh M., Madzhidov T., Solov’ev V., Horvath D., Marcou G., Varnek A.
    • в сборнике Second Kazan Summer School on Chemoinformatics. Book of Abstracts and Scientific Program. July 6-9, 2015, место издания Kazan (Russia), тезисы, с. 35
  • • 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 Prediction of protein-ligand interaction fingerprints
    • Varnek A., Chupakhin V.I., Marcou G., Baskin I.I.
    • в сборнике Fourth Symposium Methods and Applications of Computational Chemistry 28 June - 2 July 2011, место издания Lviv, Ukraine, том 2, тезисы, с. 40
  • • 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
  • • 2010 Exploring Linear Separable Problems in Chemistry
    • Marcou G., Baskin I.I., Horvath D., Varnek A.
    • в сборнике 18th EuroQSAR. Discovery Informatics & Drug Design, Rhodes, Greece, 19-24 September 2010, тезисы, с. 97
  • • 2009 WEB-COMET-interactive tool for prediction of stabilities of metal complexes in solution
    • Kireeva N., Marcou G., Solov'ev V.P., Klimchuk O., Varnek A.
    • в сборнике GDR PARIS, 12 - 14 March, 2009, место издания Avignon, France, тезисы
  • • 2008 COMET – predictive tools to assess stability of metal complexes in solution
    • Kireeva N., Marcou G., Solov’ev V.P., Fourches D., Klimchuk O., Varnek A.
    • в сборнике GDR PARIS, 7 – 8 February, 2008, Avignon, France, место издания Avignon, France, тезисы
  • • 2008 Development of predictive tools to assess stability of metal complexes in solution
    • Kireeva N., Marcou G., Solov'ev V.P., Fourches D., Klimchuk O., Varnek A.
    • в сборнике International Summer School "Supramolecular Systems in Chemistry and Biology", Tuapse, 28 September - 2 October 2008, тезисы