ИСТИНА

Varnek Alexandre

Соавторы: Marcou G., Баскин И.И., Соловьев В.П., Horvath D., Киреева Н.В., Tetko I.V., Маджидов Т.И., Gaspar H.A., Glavatskikh M., Fourches D., Gaudin C., Pandey A.K., Ruggiu F. показать полностью..., Vayer P., Осолодкин Д.И., Cherkasov A., Graton J., Ishmukhametov A., Kondratovich E.P., Nougmanov R.I., Novotarskyi S., Prokopenko V.V., Sushko I., Todeschini R., de Luca A., Кирсанов Д.О., Козловская Л.И., Орлов А.А., Палюлин В.А., Цивадзе А.Ю., Abdelaziz A., Acree W.E., Aires-de-Sousa J., Arrault A., Artemenko A., Bender A., Bonachera F., Brandmaier S., Chekmarev D., Chupakhin V.I., Dao P., Dobchev D.A., Ertl P., Galzi J.L., Gasteiger J., Gaudin С., Gimadiev T.R., Gizzi P., Gramatica P., Grishina M., Hansen N., Hoonakker F., Hormozdiari F., Jiazhong L., Karelson M., Katritzky A.R., Kholodovych V., Koerner R., Kuanar M., Kuz’min V., Körner R., Le Questel J.Y., Le Questel J.Y., Lili X., Liu H., Martin M., Martynko E., Mueller C., Muratov E., Müller K., Nigsch F., Oprisiu I., Ouadi A., 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., Zakharova M.Y., Zhang Q., Öberg T., Афонина В.В., Габибов А.Г., Егоров А.М., Елецкая А.А., Калиберда Е.Г., Кнорре В.Д., Коручеков А.А., Кузнецов Н.А., Мухаметгалеев А.Г., Никитина А.А., Радченко Е.В., Рахимбекова А.Б., Смирнов И.В., Уварова В.И., Федорова О.С., Фомина А.Д.

31 статья, 21 доклад на конференциях, 15 тезисов докладов

Количество цитирований статей в журналах по данным Web of Science: 1343, Scopus: 1426

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
  • 
    • 2020 QSPR modeling of potentiometric Mg2+/Ca2+ selectivity for PVC-plasticized sensor membranes
    • Martynko Ekaterina, Solov’ev Vitaly, Varnek Alexandre, Legin Andrey, Kirsanov Dmitry
    • в журнале Electroanalysis, издательство Wiley - V C H Verlag GmbbH & Co. (Germany), том 32, с. 792-798 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
  • 
    • 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 Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis?
    • Varnek Alexandre, Baskin Igor
    • в журнале Journal of Chemical Information and Modeling, издательство American Chemical Society (United States), том 52, № 6, с. 1413-1437 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
  • 
    • 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
  • 
    • 2010 The One-Class Classification Approach to Data Description and to Models Applicability Domain
    • Baskin Igor I., Kireeva Natalia, Varnek Alexandre
    • в журнале Molecular informatics, издательство Wiley-VCH Verlag (Weinheim, Germany, Germany), том 29, № 8-9, с. 581-587 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 Building a chemical space based on fragment descriptors
    • Baskin I., Varnek A.
    • в журнале Combinatorial Chemistry and High Throughput Screening, издательство Bentham Science Publishers (Netherlands), том 11, № 8, с. 661-668 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
  • 
    • 2007 Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids:  How Accurately Can We Predict Melting Points?
    • Varnek Alexandre, Kireeva Natalia, Tetko Igor V., Baskin Igor I., Solov’ev Vitaly P.
    • в журнале Journal of Chemical Information and Modeling, издательство American Chemical Society (United States), том 47, № 3, с. 1111-1122 DOI
  • 
    • 2007 Stochastic versus Stepwise Strategies for Quantitative Structure - Activity Relationship Generations. - How Much Effort May the Mining for Successful QSAR Models Take?
    • Horvath D., Bonachera F., Solov’ev V., Gaudin C., Varnek A.
    • в журнале Journal of Chemical Information and Modeling, издательство American Chemical Society (United States), том 47, № 3, с. 927-939 DOI
  • 
    • 2007 Successful «In Silico» Design of New Efficient Uranyl Binders
    • Varnek A., Fourches D., Solov’ev V., Klimchuk O., Ouadi A., Billard I.
    • в журнале Solvent Extraction and Ion Exchange, издательство Taylor & Francis (United Kingdom), том 25, № 4, с. 433-462 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

  • • 2017 QSPR Models on Fragment Descriptors
    • Solov’ev Vitaly, Varnek Alexandre
    • в сборнике Tutorials in Chemoinformatics, место издания John Wiley & Sons Ltd 9600 Garsington Road, Oxford, OX4 2DQ, UK, с. 135-162 DOI
  • 
    • 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
  • 
    • 2008 Tutorial 2a. Benchmarking of Different Machine Learning Regression Methods
    • Баскин И.И., Tetko I.V., Varnek A.
    • в сборнике Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France
  • 
    • 2008 Tutorial 2b. Descriptor Selection Bias
    • Tetko I.V., Varnek A., Баскин И.И.
    • в сборнике Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France

• Доклады на конференциях

  • • 2018 Virtual screening of small molecule libraries based on antiviral chemical space analysis (Стендовый)
    • Авторы: Nikitina A., Orlov A., Horvath D., Palyulin V., Varnek A., Osolodkin D.
    • 6th Chemoinformatics Strasbourg Summer School, Страсбург, Франция, 25-29 июня 2018
  • • 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
  • • 2017 The ISIDA QSPR Program: Ensemble QSPR Modeling on Fragment Descriptors (Приглашенный)
    • Авторы: Solov’ev Vitaly, Varnek Alexandre
    • 3rd Kazan Summer School on Chemoinformatics, Казань, Россия, 5-7 июля 2017
  • • 2014 Modeling of Hydrogen Bond Thermodynamics (Приглашенный)
    • Авторы: Solov’ev Vitaly, Varnek Alexandre
    • First International School-Seminar "From empirical to predictive chemistry". Kazan, November 28-29, 2014, Казань, Россия, 28-29 ноября 2014
  • • 2014 Toward an Expert System for Optimization of Chemical reactions
    • Авторы: Varnek A., Marcou G., Horvath D., Antipin I., Baskin I., Madzhidov T., Klimchuk O.
    • XXVI Международная Чугаевская конференция по координационной химии, Казань, Россия, 6-10 октября 2014
  • • 2012 Design of "Optimal" Descriptor Spaces for Data Visualization and Modeling
    • Авторы: Киреева Н.В., Баскин И.И., Varnek A., Gaspar H.A.
    • 3rd Strasbourg Summer School in Chemoinformatics, Strasbourg, France, Франция, 2012
  • • 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 Generative Topographic Maps (GTM) as a universal tool for data visualization, predicting activity profiles and comparison of databases
    • Авторы: Киреева Н.В., Баскин И.И., Varnek A.
    • 4th International Symposium “Methods and Applications of Computational Chemistry”, Lviv, Украина, 2011
  • • 2011 Navigating the Chemical Reaction Space: Self-Organizing Maps vs. Genarative Topographic Maps
    • Авторы: de Luca A., Баскин И.И., Horvath D., Киреева Н.В., Ruggiu F., Varnek A.
    • 5ème Journée de la Société Français de Chémoinformatique, Casino de Cabourg, France, Франция, 2011
  • • 2011 Prediction of biological activities using semi-supervised and transductive machine learning methods
    • Авторы: Kondratovich E.P., Баскин И.И., Varnek A.
    • 9th International Conference on Chemical Structures, Noordwijkerhout, Holland, 2011
  • • 2011 Prediction of biological activities using the Transductive Support Vector Maсhine approach
    • Авторы: Баскин И.И., Varnek A., Kondratovich E.P.
    • 5ème Journée de la Société Français de Chémoinformatique, Casino de Cabourg, France, Франция, 2011
  • • 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., Horvath D., Баскин И.И., Varnek A., Ruggiu F., Marcou G., Galzi J.L.
    • 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
  • • 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 Bechmarking of Different Machine Learning Methods
    • Авторы: Баскин И.И., Tetko I.V., Varnek A.
    • 3rd Open Summer School-Seminar "Achievements and Applications of Contemporary Informatics, Mathematics and Physics" (AACIMP-2008), Kiev, Ukraine, Украина, 2008
  • • 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
  • • 2008 Tutorial 2a. Benchmarking of Different Machine Learning Regression Methods
    • Авторы: Баскин И.И., Tetko I.V., Varnek A.
    • Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France, 2008
  • • 2008 Tutorial 2b. Descriptor Selection Bias
    • Авторы: Tetko I.V., Varnek A., Баскин И.И.
    • Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France, 2008
  • • 2007 The Use of Modern Machine Learning Approaches to Model Properties Depending on Intermolecular Interactions. The Melting Points of Ion Liquids and Stability Constants of Supramolecular Complexes
    • Авторы: Жохова Н.И., Varnek A., Solov'yov V.P., Баскин И.И., Киреева Н.В.
    • XVIII Менделеевский съезд по общей и прикладной химии, Москва, 23-28 сентября 2007 г., Москва, Россия, 2007
  • • 2006 Exhaustive QSPR study of melting point for large diverse set of ionic liquids
    • Авторы: Киреева Н.В., Solov'yov V.P., Varnek A., Tetko I.V., Баскин И.И.
    • 2nd German Conference on Chemoinformatics, Goslar, Germany, Германия, 2006

• 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
  • • 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 Design of "Optimal" Descriptor Spaces for Data Visualization and Modeling
    • Kireeva N., Баскин И.И., Gaspar H.A., Varnek A.
    • в сборнике 3rd Strasbourg Summer School in Chemoinformatics, 25-29 June 2012, Strasbourg, France, тезисы, с. 43
  • • 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 Generative Topographic Maps (GTM) as a universal tool for data visualization, predicting activity profiles and comparison of databases
    • Kireeva N., Baskin I.I., Varnek A.
    • в сборнике Fourth Symposium Methods and Applications of Computational Chemistry 28 June - 2 July 2011, место издания Lviv, Ukraine, том 2, тезисы, с. 56
  • • 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 Prediction of biological activities using semi-supervised and transductive machine learning methods
    • Kondratovich E.P., Baskin I.I., Varnek A.
    • в сборнике 9th International Conference on Chemical Structures. June 5-9, 2011. Noordwijkerhout. The Netherlands. Program & Abstracts, тезисы, с. 101
  • • 2011 Prediction of biological activities using the Transductive Support Vector Maсhine approach
    • Kondratovich E.P., Baskin I.I., Varnek A.
    • в сборнике 5ème Journée de la Société Français de Chémoinformatique, 13, 14 Oct. 2011, Casino de Cabourg, тезисы, с. 38
  • • 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