Office of Research and Development Publications

National Center For Computational Toxicology (NCCT) Research Publications

Refine Your Search

Search Again

or try advanced search

Search Within

Records 51 to 75 of 123 records from [ORD-NCCT] published between 07/19/2013 and 07/19/2018 from author Antony Williams

2017
McEachran, A., K. Mansouri, Chris Grulke, AND A. Williams. An open workflow to generate “MS Ready” structures and improve non-targeted mass spectrometry (ACS Fall 1 of 3). Presented at 253rd American Chemical Society Fall National Meeting, San Francisco, California, August 20 - 24, 2017.
Williams, A., Chris Grulke, S. Watford, R. Jolley, J. Dunne, E. Edmiston, AND J. Edwards. Bringing it all together: A Web-based Database for Chemical and Biological Data to Support Environmental Toxicology (ACS Fall meeting 8 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
Williams, A. Building an Online Profile Using Social Networking Tools (ACS Webinar). Presented at ACS Webinar, RTP, NC, May 23, 2017.
Grulke, Chris, I. Thillainadarajah, A. Richard, AND A. Williams. DSSTox: The Open Environmental Chemistry Data underlying the CompTox Chemical Dashboard (OpenTox USA). Presented at OpenTox USA 2017, Durham, NC, July 12 - 13, 2017.
Williams, A., Chris Grulke, J. Smith, K. Mansouri, A. McEachran, G. Patlewicz, J. Fitzpatrick, A. Richard, AND J. Edwards. Delivering an Informational Hub for Data at the National Center for Computational Toxicology (ACS Spring Meeting) 7 of 7. Presented at ACS Spring Meeting, San Francisco, CA, April 02 - 06, 2017. https://doi.org/10.23645/epacomptox.5063224
Williams, A. EPA Comptox Chemistry Dashboard: Web-based Data Integration Hub for Environmental Chemistry and Toxicology Data. International Society of Exposure Science (ISES) Annual Conference, RTP,NC, October 15 - 19, 2017. https://doi.org/10.23645/epacomptox.7390349
Williams, A. Five Years of Helping Chemists to Create an Online Presence Using Freely Available Resources (ACS Fall meeting 1 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
Mansouri, K., Chris Grulke, R. Judson, AND A. Williams. Free online access to experimental and predicted chemical properties through the EPA’s CompTox Chemistry Dashboard (ACS Spring meeting). Presented at ACS, San Francisco, California, April 02 - 06, 2017. https://doi.org/10.23645/epacomptox.5179045
Williams, A. Freely Available Online Tools for Communicating Chemistry through Social Media (ACS Fall Meeting 2 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
Wambaugh, J., J. Sobus, A. Williams, X. Liu, M. Strynar, Chris Grulke, A. Richard, E. Ulrich, S. Newton, K. Phillips, K. Isaacs, C. Sonich-Mullin, J. Orme-Zavaleta, R. Thomas, C. Bevington, AND C. Fehrenbacher. Generating Exposure-Relevant Measurement Data for Potential Use in Support of TSCA Requirements. International Society of Exposure Science, Morrisville,NC, October 15 - 19, 2017.
McEachran, A., J. Sobus, AND A. Williams. Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 409(7):1729-1735, (2017).
Schymanski, E., A. McEachran, R. Aalizadeh, N. Thomaidis, J. Slobodnik, J. Sobus, J. Hollender, AND A. Williams. International Suspect Screening: NORMAN Suspect Exchange meets the US EPA CompTox Chemistry Dashboard. Presented at 16th International Con Chemistry and the Environment (ICCE), Oslo, NORWAY, June 18 - 22, 2017.
Williams, A., Chris Grulke, A. McEachran, AND E. Schymanski. Markush enumeration to manage, mesh and manipulate substances of unknown or variable composition (ACS Fall meeting 5 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
McEachran, A., J. Sobus, AND A. Williams. Mass-Spectrometry Based Structure Identification of "Known-Unknowns" Using the EPA's CompTox Dashboard (ACS Spring National Meeting) 4 of 7. Presented at ACS Spring Meeting, San Francisco, CA, April 02 - 06, 2017.
Nicolas, C., K. Mansouri, K. Phillips, Chris Grulke, A. Richard, A. McEachran, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, AND J. Wambaugh. Measuring Physicochemical Properties to Inform the Scope of Existing QSAR/QSPR Models (SOT annual meeting). Presented at Society of Toxicology Annual Meeting, Baltimore, Maryland, March 12 - 16, 2017. https://doi.org/10.23645/epacomptox.5176699
Williams, A., K. Blinov, A. McEachran, AND Chris Grulke. Mobilizing EPA's Comptox Chemistry Dashboard Data on Mobile Devices (ACS Spring Meeting). Presented at ACS Spring Meeting, San Franisco, CA, April 02 - 06, 2017.
Schymanski, E., T. Schulze, R. Aalizadeh, A. Williams, N. Glowacka, L. Cirka, N. Alygizakis, I. Ipolyi, J. Slobodnik, N. Thomaidis, AND J. Hollender. NORMAN Information Exchange: Suspect Lists and Mass Spectra (ICCE Satellite meeting)Suspect Lists and Mass Spectra. Presented at ICCE Satellite Meeting, Oslo, Oslo, NORWAY, June 22, 2017.
Schymanski, E., A. Williams, AND A. McEachran. NORMAN Suspects meet the US EPA Comptox Chemistry Dashboard (NORMAN Databases Workshop)US EPA CompTox Chemistry Dashboard. Presented at NORMAN Databases Workshop, Berlin, OH, GERMANY, June 08 - 09, 2017.
Mansouri, K., Chris Grulke, R. Judson, AND A. Williams. OPERA: A QSAR tool for physicochemical properties and environmental fate predictions (ACS Spring meeting). Presented at ACS Spring meeting, San Francisco, California, April 02 - 06, 2017.
Schymanski, E. AND A. Williams. Open Science for Identifying “Known Unknown” Chemicals. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 51(10):5357-5359, (2017). https://doi.org/10.1021/acs.est.7b01908
Tkachenko, V., D. Slenter, N. Jeliazkova, A. Gaulton, A. Williams, C. Steinbeck, C. Evelo, AND E. Willighagen. Open chemistry registry and mapping platform based on open source cheminformatics toolkits (ACS Fall meeting). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
Liu, J., G. Patlewicz, A. Williams, R. Thomas, AND I. Shah. Predicting organ toxicity using in vitro bioactivity data and chemical structure. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 30:2046−2059, (2017). https://doi.org/10.1021/acs.chemrestox.7b00084