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Journal of Chemical Information and Modelingæóðíàë

Ñòàòüè, îïóáëèêîâàííûå â æóðíàëå ñòèëü:  îáû÷íûé | ÃÎÑÒ | plain | abbrv | acm | alpha | amsalpha | amsplain | apalike | ieeetr | siam

• • 2015 Accounting For Intraligand Interactions In Flexible Ligand Docking With A PMF-based Scoring Function
  • Anton Lizunov, Andrei Gonchar, Natalia Zaitseva, Victor Zosimov
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States) DOI
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  • 2015 Chemical Data Visualization and Analysis with Incremental GTM: Big Data Challenge
  • Gaspar H.A., Baskin I.I., Marcou G., Horvath D., Varnek A.
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 55, ? 1, ñ. 84-94 DOI
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  • 2015 Stargate GTM: Bridging Descriptor and Activity Spaces
  • Gaspar H.A., Baskin I.I., Marcou G., Horvath D., Varnek A.
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 55, ? 11, ñ. 2403-2410 DOI
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  • 2013 Application of the Docking Program SOL for CSAR Benchmark
  • Sulimov Alexey V., Kutov Danil C., Oferkin Igor V., Katkova Ekaterina V., Sulimov Vladimir B.
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 53, ñ. 1946-1956 DOI
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  • 2013 Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprints
  • Chupakhin Vladimir, Marcou Gilles, Baskin Igor, Varnek Alexandre, Rognan Didier
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 53, ? 4, ñ. 763-772 DOI
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  • 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
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  • 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
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  • 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
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  • 2009 New Developments in Hydrogen Bonding Acidity and Basicity of Small Organic Molecules for the Prediction of Physical and ADMET Properties. Part 2. The Universal Solvation Equation
  • Oliferenko Polina V., Oliferenko Alexander A., Poda Gennadiy, Palyulin Vladimir A., Zefirov Nikolay S., Katritzky Alan R.
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 49, ? 3, ñ. 634-646 DOI
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  • 2007 A method to assess packing quality of transmembrane ?-helices in proteins. II. Validation by ?correct vs. misleading? test
  • Chugunov A.O., Novoseletsky V.N., Nolde D.E., Arseniev A.S., Efremov R.G.
  • â æóðíàëå Journal of Chemical Information and Modeling, èçäàòåëüñòâî American Chemical Society (United States), òîì 47, ? 3, ñ. 1163-1170

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