Antony John Williams, 0000-0002-2668-4821

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Christopher M GrulkeCenter of Computational Toxicology and Exposure, Environmental Protection AgencyVerifierad e-postadress på epa.gov
Valery TkachenkoPresident, Science Data ExpertsVerifierad e-postadress på sciencedataexperts.com
sean ekinsCollaborations Pharmaceuticals, Inc.Verifierad e-postadress på collaborationspharma.com
Kirill BlinovSenior Software Developer, Molecule AppsVerifierad e-postadress på moleculeapps.com
Mikhail ElyashbergProfessor, Dr. Sci., Senior Scientist, Advanced Chemistry Development (ACD)Verifierad e-postadress på acdlabs.ru
Kamel Mansouri [orcid:0000-0002-642...Computational Chemist at NIH/NIEHS/DNTP/NICEATMVerifierad e-postadress på nih.gov
Gary E. MartinCo-Editor-in-Chief, Magnetic Resonance in Chemistry; Adjunct Professor of Chemistry, Seton HallVerifierad e-postadress på shu.edu
Andrew McEachran, 0000-0003-1423-...Application Scientist at Agilent TechnologiesVerifierad e-postadress på agilent.com
Richard JudsonUS EPA, National Center for Computational ToxicologyVerifierad e-postadress på epa.gov
John WambaughResearch Physical Scientist, U.S. Environmental Protection AgencyVerifierad e-postadress på epa.gov
Grace PatlewiczUS EPAVerifierad e-postadress på epa.gov
Nancy BakerLeidos/EPA/ParlezChemVerifierad e-postadress på epa.gov
Alex M. ClarkPresident, Molecular Materials InformaticsVerifierad e-postadress på molmatinf.com
Seth NewtonChemist, Environmental Protection AgencyVerifierad e-postadress på epa.gov
Mark StrynarUS EPAVerifierad e-postadress på epa.gov
Imran ShahComputational Systems Biologist, US EPAVerifierad e-postadress på epa.gov
Egon WillighagenAssistant Professor at BiGCaT, NUTRIM, Maastricht University The Netherlands, ORCID:0000-0001-7542Verifierad e-postadress på maastrichtuniversity.nl
Carole GobleProfessor of Computer Science, University of ManchesterVerifierad e-postadress på cs.man.ac.uk
Russell S ThomasDirector, Center for Computational Toxicology and Exposure, U.S. Environmental Protection AgencyVerifierad e-postadress på epa.gov
Lee HarlandFounder, SciBite LimitedVerifierad e-postadress på scibite.com

Antony John Williams, 0000-0002-2668-4821

Center of Computational Toxicology and Exposure, Environmental Protection Agency

Verifierad e-postadress på epa.gov - Startsida

Chemistry Cheminformatics Nuclear Magnetic Resonance Drug Discovery


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
ChemSpider: an online chemical information resource HE Pence, A Williams Journal of Chemical Education 87 (11), 1123-1124, 2010	713	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	314	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	303	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	281	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	251	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	215	2017
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	196	2007
Smart phones, a powerful tool in the chemistry classroom AJ Williams, HE Pence Journal of Chemical Education 88 (6), 683-686, 2011	194	2011
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	144*	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	135	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	114	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	98	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	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	93	2011
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	93	2010
Internet-based tools for communication and collaboration in chemistry AJ Williams Drug discovery today 13 (11-12), 502-506, 2008	93	2008
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	92	2012
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	91	1991
OPERA models for predicting physicochemical properties and environmental fate endpoints K Mansouri, CM Grulke, RS Judson, AJ Williams Journal of cheminformatics 10 (1), 10, 2018	86	2018

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