Valery Tkachenko
Valery Tkachenko
President, Science Data Experts
Geverifieerd e-mailadres voor sciencedataexperts.com
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Jaar
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ...
Journal of computer-aided molecular design 25 (6), 533-554, 2011
2722011
Identification of “known unknowns” utilizing accurate mass data and ChemSpider
JL Little, AJ Williams, A Pshenichnov, V Tkachenko
Journal of the American Society for Mass Spectrometry 23 (1), 179-185, 2011
1342011
The ChEMBL database as linked open data
EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ...
Journal of cheminformatics 5 (1), 1-12, 2013
992013
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
AJ Williams, S Ekins, V Tkachenko
Drug discovery today 17 (13-14), 685-701, 2012
932012
Comparison of deep learning with multiple machine learning methods and metrics using diverse drug discovery data sets
A Korotcov, V Tkachenko, DP Russo, S Ekins
Molecular pharmaceutics 14 (12), 4462-4475, 2017
922017
Identification of “known unknowns” utilizing accurate mass data and chemical abstracts service databases
JL Little, CD Cleven, SD Brown
Journal of the American Society for Mass Spectrometry 22 (2), 348-359, 2011
612011
Circuits of surveillance
R Williams, P Johnson
Surveillance & Society 2 (1), 1, 2004
532004
Towards the Preservation of Scientific Workflows.
D De Roure, CA Goble, G Klyne, M Roos, KM Hettne, JE Ruiz, R Palma, ...
iPRES, 2011
442011
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
KM Hettne, AJ Williams, EM van Mulligen, J Kleinjans, V Tkachenko, ...
Journal of cheminformatics 2 (1), 1-7, 2010
422010
Free online resources enabling crowd-sourced drug discovery
J Antony, V Tkachenko, C Lipinski, S Ekins
Drug Discovery 10, 33, 2009
382009
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community
A Williams, V Tkachenko
Journal of computer-aided molecular design 28 (10), 1023-1030, 2014
362014
High-performance integrated virtual environment (HIVE): a robust infrastructure for next-generation sequence data analysis
V Simonyan, K Chumakov, H Dingerdissen, W Faison, S Goldweber, ...
Database 2016, 2016
312016
Choline acetyltransferase. Reversible inhibition by bromoacetyl coenzyme A and bromoacetylcholine
RJ Roskoski
Biochemistry 13 (11), 2295-2298, 1974
311974
Programmatic conversion of crystal structures into 3D printable files using Jmol
VF Scalfani, AJ Williams, V Tkachenko, K Karapetyan, A Pshenichnov, ...
Journal of cheminformatics 8 (1), 1-8, 2016
262016
Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery
T Lane, DP Russo, KM Zorn, AM Clark, A Korotcov, V Tkachenko, ...
Molecular pharmaceutics 15 (10), 4346-4360, 2018
252018
The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets
K Karapetyan, C Batchelor, D Sharpe, V Tkachenko, AJ Williams
Journal of cheminformatics 7 (1), 30, 2015
212015
Scientific lenses to support multiple views over linked chemistry data
C Batchelor, CYA Brenninkmeijer, C Chichester, M Davies, D Digles, ...
International Semantic Web Conference, 98-113, 2014
212014
ChemSpider-building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry
AJ Williams, V Tkachenko, S Golotvin, R Kidd, G McCann
Journal of Cheminformatics 2 (S1), O16, 2010
182010
Open-source QSAR models for pKa prediction using multiple machine learning approaches
K Mansouri, NF Cariello, A Korotcov, V Tkachenko, CM Grulke, ...
Journal of Cheminformatics 11 (1), 60, 2019
92019
ChemTrove: Enabling a generic ELN to support Chemistry through the use of transferable plug-ins and online data sources
AE Day, SJ Coles, CL Bird, JG Frey, RJ Whitby, VE Tkachenko, ...
Journal of Chemical Information and Modeling 55 (3), 501-509, 2015
92015
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Artikelen 1–20