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Varnek Alexandre

Ñîàâòîðû: Áàñêèí È.È., Marcou G., Kireeva N., Tetko I.V., Horvath D., Gaspar H.A., Pandey A.K., Todeschini R., Gaudin C., Novotarskyi S., Prokopenko V.V., Ruggiu F., Sushko I. ïîêàçàòü ïîëíîñòüþ..., Cherkasov A., Kondratovich E.P., Tkachenko V., Tropsha A., Ðàä÷åíêî Å.Â., Ïàëþëèí Â.À., Gasteiger J., Kholodovych V., Gizzi P., Jiazhong L., Hormozdiari F., Hansen N., Grishina M., Gramatica P., M?ller K., Nigsch F., Polishchuk P., Potemkin V., Patiny L., Rupp M., Sahinalp C., Schwab C., Solov?ev V.P., Schroeter T., Tanchuk V.Y., Teetz W., Ertl P., Aires-de-Sousa J., Abdelaziz A., Brandmaier S., Bender A., Artemenko A., Chekmarev D., Dao P., Galzi J.L., Chupakhin V.I., Fourches D., Welsh W.J., Vayer P., Young D.M., Yao X., ?berg T., Williams A., de Luca A., Zhang Q., Koerner R., Kuz?min V., K?rner R., Liu H., Lili X., Martin M., Mueller C., Muratov E.

14 ñòàòåé, 17 äîêëàäîâ íà êîíôåðåíöèÿõ, 10 òåçèñîâ äîêëàäîâ

Êîëè÷åñòâî öèòèðîâàíèé ñòàòåé â æóðíàëàõ ïî äàííûì Web of Science: 298, Scopus: 306

IstinaResearcherID (IRID): 444772

Äåÿòåëüíîñòü ñòèëü:  îáû÷íûé | ÃÎÑÒ | plain | abbrv | acm | alpha | amsalpha | amsplain | apalike | ieeetr | siam

• Ñòàòüè â æóðíàëàõ

  • 
    • 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.
    • â æóðíàëå Molecular informatics, èçäàòåëüñòâî Wiley-VCH Verlag (Weinheim, Germany, Germany), òîì 31, ? 3-4, ñ. 301-312 DOI
  • 
    • 2012 Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis?
    • Varnek Alexandre, Baskin Igor
    • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 52, ? 6, ñ. 1413-1437 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.
    • â æóðíàëå Journal of Computer-Aided Molecular Design, èçäàòåëüñòâî Kluwer Academic Publishers (Netherlands), òîì 25, ? 6, ñ. 533-554 DOI
  • 
    • 2010 Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set
    • Sushko Iurii, Novotarskyi Sergii, K?rner Robert, Pandey Anil Kumar, Cherkasov Artem, Jiazhong Li, Gramatica Paola, Hansen Katja, Schroeter Timon, M?ller Klaus-Robert, Lili Xi, Liu Huanxiang, Yao Xiaojun, ?berg 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.
    • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 50, ? 12, ñ. 2094-2111 DOI
  • 
    • 2010 The One-Class Classification Approach to Data Description and to Models Applicability Domain
    • Baskin Igor I., Kireeva Natalia, Varnek Alexandre
    • â æóðíàëå Molecular informatics, èçäàòåëüñòâî Wiley-VCH Verlag (Weinheim, Germany, Germany), òîì 29, ? 8-9, ñ. 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.
    • â æóðíàëå Chemistry Central Journal, èçäàòåëüñòâî Chemistry Central (United Kingdom), òîì 3, ñ. 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 C?dric, Marcou Gilles, Baskin Igor, Pandey Anil Kumar, Tetko Igor V.
    • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 49, ? 1, ñ. 133-144 DOI
  • 
    • 2008 Building a chemical space based on fragment descriptors
    • Baskin I., Varnek A.
    • â æóðíàëå Combinatorial Chemistry and High Throughput Screening, èçäàòåëüñòâî Bentham Science Publishers (Netherlands), òîì 11, ? 8, ñ. 661-668 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.
    • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 47, ? 3, ñ. 1111-1122 DOI

• Ñòàòüè â ñáîðíèêàõ

  • • 2013 Chapter 8. Fragment Descriptors in Virtual Screening
    • Baskin I.I., Varnek A.
    • â ñáîðíèêå Advances in Combinatorial Chemistry & High Throughput Screening, ìåñòî èçäàíèÿ Bentham Science Publishers USA, òîì 1, ñ. 36-59 DOI
  • 
    • 2010 Tutorial on Ensemble Learning
    • Baskin I.I., Marcou G., Varnek A.
    • â ñáîðíèêå 2nd Chemoinformatics Strasbourg Summer School, 20-24 June 2010, Obernai, France
  • • 2008 Chapter 1. Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
    • Baskin I.I., Varnek A.
    • â ñáîðíèêå Chemoinformatics Approaches to Virtual Screening, ìåñòî èçäàíèÿ Royal Society of Chemistry, ñ. 1-43
  • 
    • 2008 Tutorial 2a. Benchmarking of Different Machine Learning Regression Methods
    • Áàñêèí È.È., Tetko I.V., Varnek A.
    • â ñáîðíèêå Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France
  • 
    • 2008 Tutorial 2b. Descriptor Selection Bias
    • Tetko I.V., Varnek A., Áàñêèí È.È.
    • â ñáîðíèêå Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France

• Äîêëàäû íà êîíôåðåíöèÿõ

  • • 2014 Toward an Expert System for Optimization of Chemical reactions
    • Àâòîðû: Varnek A., Marcou G., Horvath D., Klimchuk O., Baskin I., Madzhidov T., Antipin I.
    • XXVI Ìåæäóíàðîäíàÿ ×óãàåâñêàÿ êîíôåðåíöèÿ ïî êîîðäèíàöèîííîé õèìèè, Êàçàíü, Ðîññèÿ, 6-10 îêòÿáðÿ 2014
  • • 2012 Design of "Optimal" Descriptor Spaces for Data Visualization and Modeling
    • Àâòîðû: Kireeva N., Áàñêèí È.È., Gaspar H.A., Varnek A.
    • 3rd Strasbourg Summer School in Chemoinformatics, Strasbourg, France, Ôðàíöèÿ, 2012
  • • 2012 Generative Topographic Mapping: a universal tool for chemical space visualization, activity prediction and databases comparison
    • Àâòîðû: Gaspar H.A., Kireeva N., Marcou G., Áàñêèí È.È., Varnek A.
    • 3rd Strasbourg Summer School in Chemoinformatics, Strasbourg, France, Ôðàíöèÿ, 2012
  • • 2011 Generative Topographic Maps (GTM) as a universal tool for data visualization, predicting activity profiles and comparison of databases
    • Àâòîðû: Kireeva N., Áàñêèí È.È., Varnek A.
    • 4th International Symposium ?Methods and Applications of Computational Chemistry?., Lviv, Ukraine, Óêðàèíà, 2011
  • • 2011 Navigating the Chemical Reaction Space: Self-Organizing Maps vs. Genarative Topographic Maps
    • Àâòîðû: de Luca A., Áàñêèí È.È., Horvath D., Kireeva N., Ruggiu F., Varnek A.
    • 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, Casino de Cabourg, France, Ôðàíöèÿ, 2011
  • • 2011 Prediction of biological activities using semi-supervised and transductive machine learning methods
    • Àâòîðû: Kondratovich E.P., Áàñêèí È.È., Varnek A.
    • 9th International Conference on Chemical Structures, Noordwijkerhout, Holland, 2011
  • • 2011 Prediction of biological activities using the Transductive Support Vector Mañhine approach
    • Àâòîðû: Kondratovich E.P., Áàñêèí È.È., Varnek A.
    • 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, Casino de Cabourg, France, Ôðàíöèÿ, 2011
  • • 2011 Prediction of protein-ligand interaction fingerprints
    • Àâòîðû: Varnek A., Chupakhin V.I., Marcou G., Áàñêèí È.È., Rognan D.
    • 4th International Symposium ?Methods and Applications of Computational Chemistry?, Lviv, 2011
  • • 2011 The PIR-project: Modelling of the acidity (pKa) and hydrophobicity (CHI) of the CNE
    • Àâòîðû: Ruggiu F., Gizzi P., Galzi J.L., Horvath D., Marcou G., Áàñêèí È.È., Varnek A.
    • 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, Casino de Cabourg, France, Ôðàíöèÿ, 2011
  • • 2011 The use of Generative Topographic Maps (GTM) for data visualization, comparison of databases and predicting activity profiles
    • Àâòîðû: Kireeva N., Áàñêèí È.È., Gaspar H.A., Horvath D., Marcou G., Varnek A.
    • 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, Casino de Cabourg, France, Ôðàíöèÿ, 2011
  • • 2010 Exploring Linear Separable Problems in Chemistry
    • Àâòîðû: Marcou G., Áàñêèí È.È., Horvath D., Varnek A.
    • 18th EuroQSAR. Discovery Informatics & Drug Design, Rhodes, Greece, Ãðåöèÿ, 2010
  • • 2008 Bechmarking of Different Machine Learning Methods
    • Àâòîðû: Áàñêèí È.È., Tetko I.V., Varnek A.
    • 3rd Open Summer School-Seminar "Achievements and Applications of Contemporary Informatics, Mathematics and Physics" (AACIMP-2008), Kiev, Ukraine, Óêðàèíà, 2008
  • • 2008 Data Integration and Knowledge transfer: Application to the tissue:air partition coefficients
    • Àâòîðû: Gaudin C., Marcou G., Vayer P., Tetko I.V., Áàñêèí È.È., Varnek A.
    • 4th German Conference on Chemoinformatics, Goslar, Germany, Ãåðìàíèÿ, 2008
  • • 2008 Tutorial 2a. Benchmarking of Different Machine Learning Regression Methods
    • Àâòîðû: Áàñêèí È.È., Tetko I.V., Varnek A.
    • Strasbourg Summer School on Chemoinformatics: CheminfoS3, 22-25 June 2008, Obernai, France, 2008
  • • 2008 Tutorial 2b. Descriptor Selection Bias
    • Àâòîðû: Tetko I.V., Varnek A., Áàñêèí È.È.
    • 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
    • Àâòîðû: Áàñêèí È.È., Æîõîâà Í.È., Varnek A., Kireeva N., Solov'yov V.P.
    • XVIII Ìåíäåëååâñêèé ñúåçä ïî îáùåé è ïðèêëàäíîé õèìèè, Ìîñêâà, 23-28 ñåíòÿáðÿ 2007 ã., Ìîñêâà, Ðîññèÿ, 2007
  • • 2006 Exhaustive QSPR study of melting point for large diverse set of ionic liquids
    • Àâòîðû: Kireeva N., Tetko I.V., Áàñêèí È.È., Solov'yov V.P., Varnek A.
    • 2nd German Conference on Chemoinformatics, Goslar, Germany, Ãåðìàíèÿ, 2006

• Òåçèñû äîêëàäîâ

  • • 2012 Design of "Optimal" Descriptor Spaces for Data Visualization and Modeling
    • Kireeva N., Áàñêèí È.È., Gaspar H.A., Varnek A.
    • â ñáîðíèêå 3rd Strasbourg Summer School in Chemoinformatics, 25-29 June 2012, Strasbourg, France, òåçèñû, ñ. 43
  • • 2012 Generative Topographic Mapping: a universal tool for chemical space visualization, activity prediction and databases comparison
    • Gaspar H.A., Kireeva N., Marcou G., Áàñêèí È.È., Varnek A.
    • â ñáîðíèêå 3rd Strasbourg Summer School in Chemoinformatics, 25-29 June 2012, Strasbourg, France, òåçèñû, ñ. 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.
    • â ñáîðíèêå Fourth Symposium Methods and Applications of Computational Chemistry 28 June - 2 July 2011, ìåñòî èçäàíèÿ Lviv, Ukraine, òîì 2, òåçèñû, ñ. 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.
    • â ñáîðíèêå 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, 13, 14 Oct. 2011, Casino de Cabourg, òåçèñû, ñ. 30
  • • 2011 Prediction of biological activities using semi-supervised and transductive machine learning methods
    • Kondratovich E.P., Baskin I.I., Varnek A.
    • â ñáîðíèêå 9th International Conference on Chemical Structures. June 5-9, 2011. Noordwijkerhout. The Netherlands. Program & Abstracts, òåçèñû, ñ. 101
  • • 2011 Prediction of biological activities using the Transductive Support Vector Mañhine approach
    • Kondratovich E.P., Baskin I.I., Varnek A.
    • â ñáîðíèêå 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, 13, 14 Oct. 2011, Casino de Cabourg, òåçèñû, ñ. 38
  • • 2011 Prediction of protein-ligand interaction fingerprints
    • Varnek A., Chupakhin V.I., Marcou G., Baskin I.I.
    • â ñáîðíèêå Fourth Symposium Methods and Applications of Computational Chemistry 28 June - 2 July 2011, ìåñòî èçäàíèÿ Lviv, Ukraine, òîì 2, òåçèñû, ñ. 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.
    • â ñáîðíèêå 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, 13, 14 Oct. 2011, Casino de Cabourg, òåçèñû, ñ. 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.
    • â ñáîðíèêå 5?me Journ?e de la Soci?t? Fran?ais de Ch?moinformatique, 13, 14 Oct. 2011, Casino de Cabourg, òåçèñû, ñ. 37
  • • 2010 Exploring Linear Separable Problems in Chemistry
    • Marcou G., Baskin I.I., Horvath D., Varnek A.
    • â ñáîðíèêå 18th EuroQSAR. Discovery Informatics & Drug Design, Rhodes, Greece, 19-24 September 2010, òåçèñû, ñ. 97