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
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
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
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
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
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
Free online resources enabling crowd-sourced drug discovery
J Antony, V Tkachenko, C Lipinski, S Ekins
Drug Discovery 10, 33, 2009
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
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
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
CATMoS: collaborative acute toxicity modeling suite
K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ...
Environmental health perspectives 129 (4), 047013, 2021
Transferable and Extensible Machine Learning-Derived Atomic Charges for Modeling Hybrid Nanoporous Materials
VV Korolev, A Mitrofanov, EI Marchenko, NN Eremin, V Tkachenko, ...
Chemistry of Materials 32 (18), 7822-7831, 2020
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
Accessible machine learning approaches for toxicology
S Ekins, AM Clark, AL Perryman, JS Freundlich, A Korotcov, V Tkachenko
Computational toxicology: risk assessment for chemicals, 1-29, 2018
The system can't perform the operation now. Try again later.
Articles 1–20