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ORCIDAntony J. Williams
Person information
- affiliation: US Environmental Protection Agency, Raleigh, NC, USA
- affiliation (PhD 1988): University of London, UK
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Journal Articles
- 2024
[j36]Kamel Mansouri, José T. Moreira-Filho, Charles N. Lowe
, Nathaniel Charest, Todd Martin, Valery Tkachenko, Richard S. Judson, Mike Conway, Nicole C. Kleinstreuer, Antony J. Williams:
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. J. Cheminformatics 16(1): 19 (2024)- 2022
- [j35]Joseph L. Bundy, Richard S. Judson, Antony J. Williams, Christopher M. Grulke, Imran Shah, Logan J. Everett:
Predicting molecular initiating events using chemical target annotations and gene expression. BioData Min. 15(1) (2022) - [j34]Andrea Jacobs, Dustin Williams, Katherine Hickey, Nathan Patrick, Antony J. Williams, Stuart J. Chalk, Leah McEwen, Egon L. Willighagen, Martin Walker, Evan Bolton, Gabriel Sinclair, Adam Sanford:
CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community. J. Chem. Inf. Model. 62(11): 2737-2743 (2022) - [j33]Gabriel Sinclair, Inthirany Thillainadarajah, Brian Meyer, Vicente Samano, Sakuntala Sivasupramaniam, Linda Adams, Egon L. Willighagen, Ann M. Richard, Martin Walker, Antony J. Williams:
Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data. J. Chem. Inf. Model. 62(20): 4888-4905 (2022) - 2021
- [j32]Charles N. Lowe, Antony J. Williams:
Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard. J. Chem. Inf. Model. 61(2): 565-570 (2021) - 2019
- [j31]Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams:
Open-source QSAR models for pKa prediction using multiple machine learning approaches. J. Cheminformatics 11(1): 60:1-60:20 (2019) - 2018
- [j30]Kamel Mansouri, Christopher M. Grulke, Richard S. Judson, Antony J. Williams:
OPERA models for predicting physicochemical properties and environmental fate endpoints. J. Cheminformatics 10(1): 10:1-10:19 (2018) - [j29]Andrew D. McEachran, Kamel Mansouri, Christopher M. Grulke, Emma Schymanski, Christoph Ruttkies, Antony J. Williams:
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. J. Cheminformatics 10(1): 45:1-45:16 (2018) - 2017
- [j28]Antony J. Williams, Christopher M. Grulke, Jeff Edwards, Andrew D. McEachran, Kamel Mansouri, Nancy C. Baker, Grace Patlewicz, Imran Shah, John Wambaugh, Richard S. Judson, Ann M. Richard:
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry. J. Cheminformatics 9(1): 61:1-61:27 (2017) - [j27]Qingda Zang, Kamel Mansouri, Antony J. Williams, Richard S. Judson, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer:
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning. J. Chem. Inf. Model. 57(1): 36-49 (2017) - 2016
- [j26]Igor V. Tetko, Daniel M. Lowe, Antony J. Williams:
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS. J. Cheminformatics 8(1): 2:1-2:18 (2016) - [j25]Vincent F. Scalfani, Antony J. Williams, Valery Tkachenko, Karen Karapetyan, Alexey Pshenichnov, Robert M. Hanson, Jahred M. Liddie, Jason E. Bara:
Programmatic conversion of crystal structures into 3D printable files using Jmol. J. Cheminformatics 8(1): 66:1-66:8 (2016) - 2015
- [j24]Alex M. Clark, Antony J. Williams, Sean Ekins:
Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data. J. Cheminformatics 7: 9 (2015) - [j23]Karen Karapetyan, Colin R. Batchelor, David Sharpe, Valery Tkachenko, Antony J. Williams:
The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets. J. Cheminformatics 7: 30:1-30:13 (2015) - [j22]Saber A. Akhondi, Sorel Muresan, Antony J. Williams, Jan A. Kors:
Ambiguity of non-systematic chemical identifiers within and between small-molecule databases. J. Cheminformatics 7: 54:1-54:10 (2015) - [j21]Aileen E. Day, Simon J. Coles, Colin L. Bird, Jeremy G. Frey, Richard J. Whitby, Valery Tkachenko, Antony J. Williams:
ChemTrove: Enabling a Generic ELN To Support Chemistry through the Use of Transferable Plug-ins and Online Data Sources. J. Chem. Inf. Model. 55(3): 501-509 (2015) - 2014
- [j20]Sean Ekins, Alex M. Clark, S. Joshua Swamidass, Nadia K. Litterman, Antony J. Williams:
Bigger data, collaborative tools and the future of predictive drug discovery. J. Comput. Aided Mol. Des. 28(10): 997-1008 (2014) - [j19]Antony J. Williams, Valery Tkachenko:
The Royal Society of Chemistry and the delivery of chemistry data repositories for the community. J. Comput. Aided Mol. Des. 28(10): 1023-1030 (2014) - [j18]Sean Ekins, Richard Pottorf, Robert C. Reynolds, Antony J. Williams, Alex M. Clark, Joel S. Freundlich:
Looking Back to the Future: Predicting in Vivo Efficacy of Small Molecules versus Mycobacterium tuberculosis. J. Chem. Inf. Model. 54(4): 1070-1082 (2014) - [j17]Alasdair J. G. Gray, Paul Groth, Antonis Loizou, Sune Askjaer, Christian Y. A. Brenninkmeijer, Kees Burger, Christine Chichester, Chris T. A. Evelo, Carole A. Goble, Lee Harland, Steve Pettifer, Mark Thompson, Andra Waagmeester, Antony J. Williams:
Applying linked data approaches to pharmacology: Architectural decisions and implementation. Semantic Web 5(2): 101-113 (2014) - 2013
- [j16]Egon L. Willighagen, Andra Waagmeester, Ola Spjuth, Peter Ansell, Antony J. Williams, Valery Tkachenko, Janna Hastings, Bin Chen, David J. Wild:
The ChEMBL database as linked open data. J. Cheminformatics 5: 23 (2013) - 2012
- [j15]Arvin Moser, Mikhail E. Elyashberg, Antony J. Williams, Kirill A. Blinov, Joseph C. DiMartino:
Blind trials of computer-assisted structure elucidation software. J. Cheminformatics 4: 5 (2012) - [j14]Antony J. Williams:
InChI: connecting and navigating chemistry. J. Cheminformatics 4: 33 (2012) - [j13]Antony J. Williams, John Wilbanks, Sean Ekins:
Why Open Drug Discovery Needs Four Simple Rules for Licensing Data and Models. PLoS Comput. Biol. 8(9) (2012) - 2011
- [j12]Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j11]Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3(S-1): 20 (2011) - 2010
- [j10]Kristina M. Hettne, Antony J. Williams, Erik M. van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A. Kors:
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining. J. Cheminformatics 2: 3 (2010) - [j9]Kristina M. Hettne, Antony J. Williams, Erik M. van Mulligen, Jos Kleinjans, Valery Tkachenko, Jan A. Kors:
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining (Correction). J. Cheminformatics 2: 4 (2010) - [j8]Antony J. Williams, Valery Tkachenko, Sergey Golotvin, Richard Kidd, Graham McCann:
ChemSpider - building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry. J. Cheminformatics 2(S-1): 16 (2010) - 2009
- [j7]Mikhail E. Elyashberg, Kirill A. Blinov, Sergey G. Molodtsov, Yegor D. Smurnyy, Antony J. Williams, Tatiana S. Churanova:
Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream. J. Cheminformatics 1: 3 (2009) - [j6]Jean-Claude Bradley, Robert J. Lancashire, Andrew S. I. D. Lang, Antony J. Williams:
The Spectral Game: leveraging Open Data and crowdsourcing for education. J. Cheminformatics 1: 9 (2009) - 2008
- [j5]Yegor D. Smurnyy, Kirill A. Blinov, Tatiana S. Churanova, Mikhail E. Elyashberg, Antony J. Williams:
Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches. J. Chem. Inf. Model. 48(1): 128-134 (2008) - 2007
- [j4]Mikhail E. Elyashberg, Kirill A. Blinov, Sergey G. Molodtsov, Antony J. Williams, Gary E. Martin:
Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE). J. Chem. Inf. Model. 47(3): 1053-1066 (2007) - 2006
- [j3]Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov, Gary E. Martin:
Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?. J. Chem. Inf. Model. 46(4): 1643-1656 (2006) - 2004
- [j2]Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov, Gary E. Martin, Eduard R. Martirosian:
Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments. J. Chem. Inf. Model. 44(3): 771-792 (2004) - [j1]Sergey G. Molodtsov, Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Eduard R. Martirosian, Gary E. Martin, Brent Lefebvre:
Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data. J. Chem. Inf. Model. 44(5): 1737-1751 (2004)
Conference and Workshop Papers
- 2014
- [c4]Colin R. Batchelor, Christian Y. A. Brenninkmeijer, Christine Chichester, Mark Davies, Daniela Digles, Ian Dunlop, Chris T. A. Evelo, Anna Gaulton, Carole A. Goble, Alasdair J. G. Gray, Paul Groth, Lee Harland, Karen Karapetyan, Antonis Loizou, John P. Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra Waagmeester, Antony J. Williams, Egon L. Willighagen:
Scientific Lenses to Support Multiple Views over Linked Chemistry Data. ISWC (1) 2014: 98-113 - 2013
- [c3]Carole A. Goble, Alasdair J. G. Gray, Lee Harland, Karen Karapetyan, Antonis Loizou, Ivan Mikhailov, Yrjänä Rankka, Stefan Senger, Valery Tkachenko, Antony J. Williams, Egon L. Willighagen:
Incorporating Commercial and Private Data into an Open Linked Data Platform for Drug Discovery. ISWC (2) 2013: 65-80 - 2012
- [c2]Alasdair J. G. Gray, Sune Askjaer, Christian Y. A. Brenninkmeijer, Kees Burger, Christine Chichester, James M. Eales, Chris T. A. Evelo, Carole A. Goble, Paul Groth, Lee Harland, Antonis Loizou, Steve Pettifer, Rishi Ramgolam, Mark Thompson, Andra Waagmeester, Antony J. Williams:
The Pharmacology Workspace: A Platform for Drug Discovery. ICBO 2012 - [c1]Christian Y. A. Brenninkmeijer, Chris T. A. Evelo, Carole A. Goble, Alasdair J. G. Gray, Paul Groth, Steve Pettifer, Robert Stevens, Antony J. Williams, Egon L. Willighagen:
Scientific Lenses over Linked Data: An Approach to Support Task Specific Views of the Data. A Vision. LISC@ISWC 2012
Informal and Other Publications
- 2017
- [i2]Antony J. Williams, Lou Peck, Sean Ekins:
The new alchemy: Online networking, data sharing and research activity distribution tools for scientists. F1000Research 6: 1315- (2017) - [i1]Nancy Baker, Thomas Knudsen, Antony J. Williams:
Abstract Sifter: a comprehensive front-end system to PubMed. F1000Research 6: 2164- (2017)
Coauthor Index
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