Valery Tkachenko
Valery Tkachenko
President, Science Data Experts
Verified email at
Cited by
Cited by
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
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
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
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
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
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
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
Circuits of surveillance
R Williams, P Johnson
Surveillance & society 2 (1), 1, 2004
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
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
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
Free online resources enabling crowd-sourced drug discovery
J Antony, V Tkachenko, C Lipinski, S Ekins
Drug Discovery 10, 33, 2009
Choline acetyltransferase. Reversible inhibition by bromoacetyl coenzyme A and bromoacetylcholine
RJ Roskoski
Biochemistry 13 (11), 2295-2298, 1974
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
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
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), 1-13, 2015
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), 1-20, 2019
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 (1), 1-1, 2010
Graph convolutional neural networks as “general-purpose” property predictors: the universality and limits of applicability
V Korolev, A Mitrofanov, A Korotcov, V Tkachenko
Journal of chemical information and modeling 60 (1), 22-28, 2019
Incorporating commercial and private data into an open linked data platform for drug discovery
C Goble, AJG Gray, L Harland, K Karapetyan, A Loizou, I Mikhailov, ...
International Semantic Web Conference, 65-80, 2013
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