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2020 – today
- 2024
[j14]Kamel Mansouri, José T. Moreira-Filho, Charles N. Lowe
, Nathaniel Charest, Todd Martin, Valery Tkachenko, Richard S. Judson, Mike Conway, Nicole C. Kleinstreuer, Antony J. Williams:
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. J. Cheminformatics 16(1): 19 (2024)- 2021
- [i1]Kirill Karpov, Artem Mitrofanov, Vadim Korolev, Valery Tkachenko:
Size doesn't matter: predicting physico- or biochemical properties based on dozens of molecules. CoRR abs/2107.10882 (2021) - 2020
- [j13]Vadim Korolev, Artem Mitrofanov, Alexandru Korotcov, Valery Tkachenko:
Graph Convolutional Neural Networks as "General-Purpose" Property Predictors: The Universality and Limits of Applicability. J. Chem. Inf. Model. 60(1): 22-28 (2020)
2010 – 2019
- 2019
- [j12]Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams:
Open-source QSAR models for pKa prediction using multiple machine learning approaches. J. Cheminformatics 11(1): 60:1-60:20 (2019) - 2016
- [j11]Vahan Simonyan, Konstantin Chumakov, Hayley Dingerdissen, William J. Faison, Scott Goldweber, Anton Golikov, Naila Gulzar, Konstantinos Karagiannis, Phuc Vinh Nguyen Lam, Thomas Maudru, Olesja Muravitskaja, Ekaterina Osipova, Yang Pan, Alexey Pschenichnov, Alexandre Rostovtsev, Luis V. Santana-Quintero, Krista Smith, Elaine E. Thompson, Valery Tkachenko, John Torcivia-Rodriguez, Alin Voskanian, Quan Wan, Jing Wang, Tsung-Jung Wu, Carolyn Wilson, Raja Mazumder:
High-performance integrated virtual environment (HIVE): a robust infrastructure for next-generation sequence data analysis. Database J. Biol. Databases Curation 2016 (2016) - [j10]Vincent F. Scalfani, Antony J. Williams, Valery Tkachenko, Karen Karapetyan, Alexey Pshenichnov, Robert M. Hanson, Jahred M. Liddie, Jason E. Bara:
Programmatic conversion of crystal structures into 3D printable files using Jmol. J. Cheminformatics 8(1): 66:1-66:8 (2016) - 2015
- [j9]Karen Karapetyan, Colin R. Batchelor, David Sharpe, Valery Tkachenko, Antony J. Williams:
The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets. J. Cheminformatics 7: 30:1-30:13 (2015) - [j8]Aileen E. Day, Simon J. Coles, Colin L. Bird, Jeremy G. Frey, Richard J. Whitby, Valery Tkachenko, Antony J. Williams:
ChemTrove: Enabling a Generic ELN To Support Chemistry through the Use of Transferable Plug-ins and Online Data Sources. J. Chem. Inf. Model. 55(3): 501-509 (2015) - [c3]Anna Gaulton, Lee Harland, Mark Davies, George Papadatos, Antonis Loizou, Nathan Dedman, Daniela Digles, Stian Soiland-Reyes, Valery Tkachenko, Stefan Senger, John P. Overington, Nick Lynch:
Semantic-Web Access to Patent Annotations. SWAT4LS 2015: 212-213 - 2014
- [j7]Antony J. Williams, Valery Tkachenko:
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community. J. Comput. Aided Mol. Des. 28(10): 1023-1030 (2014) - [c2]Colin R. Batchelor, Christian Y. A. Brenninkmeijer, Christine Chichester, Mark Davies, Daniela Digles, Ian Dunlop, Chris T. A. Evelo, Anna Gaulton, Carole A. Goble, Alasdair J. G. Gray, Paul Groth, Lee Harland, Karen Karapetyan, Antonis Loizou, John P. Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra Waagmeester, Antony J. Williams, Egon L. Willighagen:
Scientific Lenses to Support Multiple Views over Linked Chemistry Data. ISWC (1) 2014: 98-113 - 2013
- [j6]Egon L. Willighagen, Andra Waagmeester, Ola Spjuth, Peter Ansell, Antony J. Williams, Valery Tkachenko, Janna Hastings, Bin Chen, David J. Wild:
The ChEMBL database as linked open data. J. Cheminformatics 5: 23 (2013) - [c1]Carole A. Goble, Alasdair J. G. Gray, Lee Harland, Karen Karapetyan, Antonis Loizou, Ivan Mikhailov, Yrjänä Rankka, Stefan Senger, Valery Tkachenko, Antony J. Williams, Egon L. Willighagen:
Incorporating Commercial and Private Data into an Open Linked Data Platform for Drug Discovery. ISWC (2) 2013: 65-80 - 2011
- [j5]Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j4]Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3(S-1): 20 (2011) - 2010
- [j3]Kristina M. Hettne, Antony J. Williams, Erik M. van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A. Kors:
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining. J. Cheminformatics 2: 3 (2010) - [j2]Kristina M. Hettne, Antony J. Williams, Erik M. van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A. Kors:
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining (Correction). J. Cheminformatics 2: 4 (2010) - [j1]Antony J. Williams, Valery Tkachenko, Sergey Golotvin, Richard Kidd, Graham McCann:
ChemSpider - building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry. J. Cheminformatics 2(S-1): 16 (2010)
Coauthor Index
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