Antony J. Williams

Publication Activity (10 Years)

Years Active: 2004-2024
Publications (10 Years): 18

Top Topics

Mass Spectrometry

Physicochemical Properties

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

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) (2024)
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) (2022)
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) (2022)
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)
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) (2021)
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) (2019)
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) (2018)
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) (2018)
Nancy Baker, Thomas Knudsen, Antony J. Williams
Abstract Sifter: a comprehensive front-end system to PubMed. F1000Research 6 (2017)
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) (2017)
Antony J. Williams, Lou Peck, Sean Ekins
The new alchemy: Online networking, data sharing and research activity distribution tools for scientists. F1000Research 6 (2017)
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) (2017)
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) (2016)
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) (2016)
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 (2015)
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 (2015)
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 (2015)
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) (2015)
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)
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) (2014)
Sean Ekins, Richard Pottorf, Robert C. Reynolds, Antony J. Williams, Alex M. Clark, Joel S. Freundlich
. J. Chem. Inf. Model. 54 (4) (2014)
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) (2014)
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) (2014)
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)
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 (2013)
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)
Antony J. Williams
InChI: connecting and navigating chemistry. J. Cheminformatics 4 (2012)
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 (2012)
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)
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)
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 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) (2011)
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 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) (2011)
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 (2010)
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) (2010)
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 (2010)
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 (2009)
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 (2009)
Yegor D. Smurnyy, Kirill A. Blinov, Tatiana S. Churanova, Mikhail E. Elyashberg, Antony J. Williams
H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches. J. Chem. Inf. Model. 48 (1) (2008)
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) (2007)
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) (2006)
Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov, Gary E. Martin, Eduard R. Martirosian
A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments. J. Chem. Inf. Model. 44 (3) (2004)
Sergey G. Molodtsov, Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Eduard R. Martirosian, Gary E. Martin, Brent Lefebvre
Expert System: Detection and Removal of Contradictions in the Data. J. Chem. Inf. Model. 44 (5) (2004)