Antony John Williams, 0000-0002-2668-4821

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	All	Since 2015
Citations	9198	5346
h-index	52	37
i10-index	175	113

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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
Mikhail ElyashbergProfessor, Dr. Sci., Senior Scientist, Advanced Chemistry Development (ACD)Verified email at acdlabs.ru
Kamel Mansouri [orcid:0000-0002-642...Lead Computational Chemist at ILS supporting NICETAMVerified email at nih.gov
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
John WambaughResearch Physical Scientist, U.S. Environmental Protection AgencyVerified email at epa.gov
Grace PatlewiczUS EPAVerified email at epa.gov
Alex M. ClarkPresident, Molecular Materials InformaticsVerified email at molmatinf.com
Nancy BakerLeidos/EPA/ParlezChemVerified email at epa.gov
Seth NewtonChemist, Environmental Protection AgencyVerified email at epa.gov
Mark StrynarUS EPAVerified email at epa.gov
Imran ShahComputational Systems Biologist, US EPAVerified email at epa.gov
Egon WillighagenAssistant Professor at BiGCaT, NUTRIM, Maastricht University The Netherlands, ORCID:0000-0001-7542Verified email at maastrichtuniversity.nl
Carole GobleProfessor of Computer Science, University of ManchesterVerified email at cs.man.ac.uk
Lee HarlandCEO SciBite.comVerified email at connecteddiscovery.com
Emma SchymanskiAssoc. Prof & PI, Environmental Cheminformatics, LCSB, Uni LuxembourgVerified email at uni.lu

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	673	2010
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	299	2012
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	286	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	265	2016
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	244	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	191	2007
Smart phones, a powerful tool in the chemistry classroom AJ Williams, HE Pence Journal of Chemical Education 88 (6), 683-686, 2011	188	2011
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), 61, 2017	181	2017
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	140*	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	133	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	110	2016
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	101	2013
Improved baseline recognition and modeling of FT NMR spectra S Golotvin, A Williams Journal of Magnetic Resonance 146 (1), 122-125, 2000	95	2000
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	94	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	92	2011
Internet-based tools for communication and collaboration in chemistry AJ Williams Drug discovery today 13 (11-12), 502-506, 2008	92	2008
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	91	2010
Carbon-carbon double-bond formation in the intermolecular acetonitrile reductive coupling promoted by a mononuclear titanium(II) compound. Preparation and characterization of … R Duchateau, AJ Williams, S Gambarotta, MY Chiang Inorganic Chemistry 30 (25), 4863–4866, 1991	90	1991
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	87	2012
Public chemical compound databases AJ Williams Current Opinion in Drug Discovery and Development 11 (3), 393, 2008	82	2008

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