Antony John Williams, 0000-0002-2668-4821

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Christopher M GrulkeCenter of Computational Toxicology and Exposure, Environmental Protection AgencyVerified email at epa.gov
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
Gary E. MartinCo-Editor-in-Chief, Magnetic Resonance in Chemistry; Adjunct Professor of Chemistry, Seton HallVerified email at shu.edu
Andrew McEachran, 0000-0003-1423-...Application Scientist at Agilent TechnologiesVerified email at agilent.com
Richard JudsonUS EPA, National Center for Computational ToxicologyVerified 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
Alex M. ClarkPresident, Molecular Materials InformaticsVerified email at molmatinf.com
Imran ShahComputational Systems Biologist, US EPAVerified email at epa.gov
Mark StrynarUS EPAVerified email at epa.gov
John WambaughResearch Physical Scientist, U.S. Environmental Protection AgencyVerified email at epa.gov
Russell S ThomasDirector, Center for Computational Toxicology and Exposure, U.S. Environmental Protection AgencyVerified email at epa.gov
Egon WillighagenAssistant Professor at BiGCaT, NUTRIM, Maastricht University The Netherlands, ORCID:0000-0001-7542Verified email at maastrichtuniversity.nl
Emma SchymanskiAssoc. Prof & PI, Environmental Cheminformatics, LCSB, Uni LuxembourgVerified email at uni.lu
Carole GobleProfessor of Computer Science, University of ManchesterVerified email at cs.man.ac.uk

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	779	2010
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	341	2011
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	320	2012
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	312	2016
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	275	2017
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	263	2011
Smart phones, a powerful tool in the chemistry classroom AJ Williams, HE Pence Journal of Chemical Education 88 (6), 683-686, 2011	212	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	202	2007
The passionate technique: Strategic psychodrama with individuals, families, and groups. A Williams Tavistock/Routledge, 1989	169	1989
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	148*	2012
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	134	2008
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	125	2016
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	116	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	108	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	102	2012
A bibliometric review of drug repurposing NC Baker, S Ekins, AJ Williams, A Tropsha Drug discovery today 23 (3), 661-672, 2018	101	2018
Improved baseline recognition and modeling of FT NMR spectra S Golotvin, A Williams Journal of Magnetic Resonance 146 (1), 122-125, 2000	101	2000
A predictive ligand-based Bayesian model for human drug-induced liver injury S Ekins, AJ Williams, JJ Xu Drug Metabolism and Disposition 38 (12), 2302-2308, 2010	98	2010
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	96	2012
A quality alert and call for improved curation of public chemistry databases AJ Williams, S Ekins Drug Discovery Today 16 (17-18), 747-750, 2011	96	2011

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