Antony John Williams, 0000-0002-2668-4821

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Antony John Williams, 0000-0002-2668-4821

Center of Computational Toxicology and Exposure, Environmental Protection Agency

在 epa.gov 的電子郵件地址已通過驗證 - 首頁

Chemistry Cheminformatics Nuclear Magnetic Resonance Drug Discovery


標題按引用次數排序按年份排序按標題排序	引用次數引用次數	年份
ChemSpider: an online chemical information resource HE Pence, A Williams Journal of Chemical Education 87 (11), 1123-1124, 2010	895	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	431	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	393	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	275	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
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
Improved baseline recognition and modeling of FT NMR spectra S Golotvin, A Williams Journal of Magnetic Resonance 146 (1), 122-125, 2000	104	2000

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