‪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
Kamel Mansouri [orcid:0000-0002-642...Computational Chemist at NIH/NIEHS/DTT/NICEATMVerified email at nih.gov
sean ekinsCollaborations Pharmaceuticals, Inc.Verified email at collaborationspharma.com
Andrew McEachran, 0000-0003-1423-...Product Owner at Agilent TechnologiesVerified email at agilent.com
Kirill BlinovSenior Software Developer, Molecule AppsVerified email at moleculeapps.com
Richard JudsonUS EPA, Center for Computational Toxicology and ExposureVerified email at epa.gov
Mikhail ElyashbergProfessor, Dr. Sci., Senior Scientist, Advanced Chemistry Development (ACD)Verified email at acdlabs.ru
Grace PatlewiczUS EPAVerified email at epa.gov
Gary E. MartinAdj. Prof., Chemistry, Seton Hall; Adj. Prof., Chemistry, Stevens Institute of TechnologyVerified email at shu.edu
Nancy BakerLeidos/EPA/ParlezChemVerified email at epa.gov
John WambaughResearch Physical Scientist, U.S. Environmental Protection AgencyVerified email at epa.gov
Imran ShahComputational Systems Biologist, US EPAVerified email at epa.gov
Seth R. NewtonChemist, Environmental Protection AgencyVerified email at epa.gov
Mark StrynarUS EPAVerified email at epa.gov
Russell S ThomasDirector, Center for Computational Toxicology and Exposure, U.S. Environmental Protection AgencyVerified email at epa.gov
Emma SchymanskiFull Prof & PI, Environmental Cheminformatics, LCSB, Uni LuxembourgVerified email at uni.lu
Alex M. ClarkPresident, Molecular Materials InformaticsVerified email at molmatinf.com
Egon WillighagenTGX, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://social.edu.nl/@egonwVerified email at maastrichtuniversity.nl
Carole GobleProfessor of Computer Science, University of ManchesterVerified email at manchester.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	1242	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, 1-27, 2017	882	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, 533-554, 2011	648	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	633	2016
OPERA models for predicting physicochemical properties and environmental fate endpoints K Mansouri, CM Grulke, RS Judson, AJ Williams Journal of cheminformatics 10, 1-19, 2018	452	2018
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	392	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	330	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	288	2007
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	285	2019
Smart phones, a powerful tool in the chemistry classroom AJ Williams, HE Pence Journal of Chemical Education 88 (6), 683-686, 2011	281	2011
An ecotoxicological view on neurotoxicity assessment JB Legradi, C Di Paolo, MHS Kraak, HG Van der Geest, EL Schymanski, ... Environmental Sciences Europe 30, 1-34, 2018	239	2018
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products KL Dionisio, K Phillips, PS Price, CM Grulke, A Williams, D Biryol, T Hong, ... Scientific data 5 (1), 1-9, 2018	221	2018
A bibliometric review of drug repurposing NC Baker, S Ekins, AJ Williams, A Tropsha Drug discovery today 23 (3), 661-672, 2018	211	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	211*	2012
The Tox21 10K compound library: collaborative chemistry advancing toxicology AM Richard, R Huang, S Waidyanatha, P Shinn, BJ Collins, ... Chemical Research in Toxicology 34 (2), 189-216, 2020	202	2020
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	202	2018
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	194	2016
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	174	2008
In silico prediction of physicochemical properties of environmental chemicals using molecular fingerprints and machine learning Q Zang, K Mansouri, AJ Williams, RS Judson, DG Allen, WM Casey, ... Journal of chemical information and modeling 57 (1), 36-49, 2017	164	2017
CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020	159	2020

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