Antony J. Williams

Orcid: 0000-0002-2668-4821

Affiliations:
  • US Environmental Protection Agency, Raleigh, NC, USA
  • University of London, UK (PhD 1988)


According to our database1, Antony J. Williams authored at least 42 papers between 2004 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

Online presence:

On csauthors.net:

Bibliography

2024
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.
J. Cheminformatics, December, 2024

2022
Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data.
J. Chem. Inf. Model., 2022

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community.
J. Chem. Inf. Model., 2022

Predicting molecular initiating events using chemical target annotations and gene expression.
BioData Min., 2022

2021
Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard.
J. Chem. Inf. Model., 2021

2019
Open-source QSAR models for pKa prediction using multiple machine learning approaches.
J. Cheminformatics, 2019

2018
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies.
J. Cheminformatics, 2018

OPERA models for predicting physicochemical properties and environmental fate endpoints.
J. Cheminformatics, 2018

2017
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning.
J. Chem. Inf. Model., 2017

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry.
J. Cheminformatics, 2017

The new alchemy: Online networking, data sharing and research activity distribution tools for scientists.
F1000Research, 2017

Abstract Sifter: a comprehensive front-end system to PubMed.
F1000Research, 2017

2016
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS.
J. Cheminformatics, 2016

Programmatic conversion of crystal structures into 3D printable files using Jmol.
J. Cheminformatics, 2016

2015
ChemTrove: Enabling a Generic ELN To Support Chemistry through the Use of Transferable Plug-ins and Online Data Sources.
J. Chem. Inf. Model., 2015

The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets.
J. Cheminformatics, 2015

Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data.
J. Cheminformatics, 2015

Ambiguity of non-systematic chemical identifiers within and between small-molecule databases.
J. Cheminformatics, 2015

2014
Applying linked data approaches to pharmacology: Architectural decisions and implementation.
Semantic Web, 2014

Looking Back to the Future: Predicting <i>in Vivo</i> Efficacy of Small Molecules versus <i>Mycobacterium tuberculosis</i>.
J. Chem. Inf. Model., 2014

The Royal Society of Chemistry and the delivery of chemistry data repositories for the community.
J. Comput. Aided Mol. Des., 2014

Bigger data, collaborative tools and the future of predictive drug discovery.
J. Comput. Aided Mol. Des., 2014


2013
The ChEMBL database as linked open data.
J. Cheminformatics, 2013

Incorporating Commercial and Private Data into an Open Linked Data Platform for Drug Discovery.
Proceedings of the Semantic Web - ISWC 2013, 2013

2012
Why Open Drug Discovery Needs Four Simple Rules for Licensing Data and Models.
PLoS Comput. Biol., 2012

InChI: connecting and navigating chemistry.
J. Cheminformatics, 2012

Blind trials of computer-assisted structure elucidation software.
J. Cheminformatics, 2012

Scientific Lenses over Linked Data: An Approach to Support Task Specific Views of the Data. A Vision.
Proceedings of the Second International Workshop on Linked Science 2012, 2012

The Pharmacology Workspace: A Platform for Drug Discovery.
Proceedings of the 3rd International Conference on Biomedical Ontology (ICBO 2012), 2012

2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics, 2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des., 2011

2010
ChemSpider - building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry.
J. Cheminformatics, 2010

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining (Correction).
J. Cheminformatics, 2010

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining.
J. Cheminformatics, 2010

2009
Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream.
J. Cheminformatics, 2009

The Spectral Game: leveraging Open Data and crowdsourcing for education.
J. Cheminformatics, 2009

2008
Toward More Reliable <sup>13</sup>C and <sup>1</sup>H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches.
J. Chem. Inf. Model., 2008

2007
Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE).
J. Chem. Inf. Model., 2007

2006
Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?.
J. Chem. Inf. Model., 2006

2004
Structure Elucidation from 2D NMR Spectra Using the <i>StrucEluc</i> Expert System: Detection and Removal of Contradictions in the Data.
J. Chem. Inf. Model., 2004

<i>Structure Elucidator: </i>A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments.
J. Chem. Inf. Model., 2004


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