Antony John Williams, 0000-0002-2668-4821

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Christopher M GrulkeData Science, Wave Life SciencesVerified email at wavelifesci.com
Valery TkachenkoPresident, Science Data ExpertsVerified email at sciencedataexperts.com
sean ekinsCollaborations Pharmaceuticals, Inc.Verified email at collaborationspharma.com
Kirill BlinovSenior Software Developer, Molecule AppsVerified email at moleculeapps.com
Kamel Mansouri [orcid:0000-0002-642...Computational Chemist at NIH/NIEHS/DNTP/NICEATMVerified email at nih.gov
Mikhail ElyashbergProfessor, Dr. Sci., Senior Scientist, Advanced Chemistry Development (ACD)Verified email at acdlabs.ru
Andrew McEachran, 0000-0003-1423-...Product Owner at Agilent TechnologiesVerified email at agilent.com
Gary E. MartinCo-Editor-in-Chief, Magnetic Resonance in Chemistry; Adjunct Professor of Chemistry, Seton HallVerified email at shu.edu
Richard JudsonUS EPA, Center for Computational Toxicology and ExposureVerified email at epa.gov
Grace PatlewiczUS EPAVerified email at epa.gov
Nancy BakerLeidos/EPA/ParlezChemVerified email at epa.gov
Seth R. NewtonChemist, Environmental Protection AgencyVerified email at epa.gov
Mark StrynarUS EPAVerified email at epa.gov
Alex M. ClarkPresident, Molecular Materials InformaticsVerified email at molmatinf.com
John WambaughResearch Physical Scientist, U.S. Environmental Protection AgencyVerified email at epa.gov
Emma SchymanskiAssoc. Prof & PI, Environmental Cheminformatics, LCSB, Uni LuxembourgVerified email at uni.lu
Russell S ThomasDirector, Center for Computational Toxicology and Exposure, U.S. Environmental Protection AgencyVerified email at epa.gov
Egon WillighagenAssistant Professor at BiGCaT, Maastricht University The Netherlands, ORCID:0000-0001-7542-0286Verified email at maastrichtuniversity.nl
Carole GobleProfessor of Computer Science, University of ManchesterVerified email at cs.man.ac.uk
Chris EveloHead Department of Bioinformatics - BiGCaT, Maastricht University ORCID:0000-0002-5301-3142Verified email at maastrichtuniversity.nl

Antony John Williams, 0000-0002-2668-4821

Center of Computational Toxicology and Exposure, Environmental Protection Agency

Verified email at epa.gov - Homepage

Chemistry Cheminformatics Nuclear Magnetic Resonance Drug Discovery


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ChemSpider: an online chemical information resource HE Pence, A Williams Journal of Chemical Education 87 (11), 1123-1124, 2010	892	2010
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry AJ Williams, CM Grulke, J Edwards, AD McEachran, K Mansouri, ... Journal of cheminformatics 9 (1), 1-27, 2017	437	2017
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	429	2011
ToxCast chemical landscape: paving the road to 21st century toxicology AM Richard, RS Judson, KA Houck, CM Grulke, P Volarath, ... Chemical research in toxicology 29 (8), 1225-1251, 2016	392	2016
Open PHACTS: semantic interoperability for drug discovery AJ Williams, L Harland, P Groth, S Pettifer, C Chichester, EL Willighagen, ... Drug discovery today 17 (21-22), 1188-1198, 2012	341	2012
In silico repositioning of approved drugs for rare and neglected diseases S Ekins, AJ Williams, MD Krasowski, JS Freundlich Drug discovery today 16 (7), 298-310, 2011	274	2011
Smart phones, a powerful tool in the chemistry classroom AJ Williams, HE Pence Journal of Chemical Education 88 (6), 683-686, 2011	250	2011
Major structural components in freshwater dissolved organic matter B Lam, A Baer, M Alaee, B Lefebvre, A Moser, A Williams, AJ Simpson Environmental Science & Technology 41 (24), 8240-8247, 2007	226	2007
OPERA models for predicting physicochemical properties and environmental fate endpoints K Mansouri, CM Grulke, RS Judson, AJ Williams Journal of cheminformatics 10 (1), 1-19, 2018	189	2018
Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider APVT James L. Little, Antony J. Williams Journal of the American Society of Mass Spectrometry 23 (1), 179-85, 2012	169*	2012
The next generation blueprint of computational toxicology at the US Environmental Protection Agency RS Thomas, T Bahadori, TJ Buckley, J Cowden, C Deisenroth, ... Toxicological Sciences 169 (2), 317-332, 2019	152	2019
Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring JE Rager, MJ Strynar, S Liang, RL McMahen, AM Richard, CM Grulke, ... Environment international 88, 269-280, 2016	151	2016
Visual and active supervision: Roles, focus, technique. A Williams WW Norton & Co, 1995	150	1995
Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation ME Elyashberg, AJ Williams, GE Martin Progress in Nuclear Magnetic Resonance Spectroscopy 53 (1-2), 1-104, 2008	145	2008
An ecotoxicological view on neurotoxicity assessment JB Legradi, C Di Paolo, MHS Kraak, HG Van der Geest, EL Schymanski, ... Environmental Sciences Europe 30 (1), 1-34, 2018	138	2018
A bibliometric review of drug repurposing NC Baker, S Ekins, AJ Williams, A Tropsha Drug discovery today 23 (3), 661-672, 2018	134	2018
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	123	2013
Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA JR Sobus, JF Wambaugh, KK Isaacs, AJ Williams, AD McEachran, ... Journal of exposure science & environmental epidemiology 28 (5), 411-426, 2018	122	2018
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	113	2012
A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: Highly modified halogenated dipeptides from Thuiaria breitfussi KØ Hanssen, B Schuler, AJ Williams, TB Demissie, E Hansen, ... Angewandte Chemie 124 (49), 12404-12407, 2012	108	2012

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