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 26 to 50 of 91 records from [ORD-NCCT] published between 03/18/2013 and 03/18/2018 from author Antony Williams

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
Williams, A., Chris Grulke, J. Smith, R. Jolley, J. Dunne, E. Edmiston, AND J. Edwards. Public Access to Environmental Chemistry Data via the CompTox Chemistry Dashboard (ACS Fall Meeting 6 of 12). Presented at 2017 ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
McEachran, A., J. Grossman, S. Newton, K. Isaacs, K. Phillips, N. Baker, J. Sobus, Chris Grulke, AND A. Williams. Structure identification for Non-Targeted Analytical Chemistry using the US EPA’s CompTox Chemistry Dashboard (ACS 2017 Fall meeting 3 of 3). 254th American Chemical Society National Meeting, Washington, DC, August 20 - 24, 2017.
Baker, N., T. Knudsen, A. Williams, K. Crofton, AND G. Patlewicz. Supporting read-across predictions of chemical toxicity using high-throughput text-mining (ACS 2017 Spring meeting ). Presented at ACS 2017 Spring National Meeting, San Francisco, CA, April 02 - 06, 2017. https://doi.org/10.23645/epacomptox.5057962
Baker, N., T. Knudsen, A. Williams, AND K. Crofton. Text-mining strategies to support computational research in chemical toxicity (ACS 2017 Spring meeting). Presented at ACS National Meeting, San Francisco, California, April 03 - 06, 2017. https://doi.org/10.23645/epacomptox.5058016
Williams, A., K. Mansouri, V. Tkachenko, K. Blinov, AND Chris Grulke. The Benefits of Making Data from the EPA National Center for Computational Toxicology available for reuse (ACS Fall meeting 3 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
Williams, A., Chris Grulke, J. Edwards, A. McEachran, K. Mansouri, N. Baker, G. Patlewicz, I. Shah, J. Wambaugh, R. Judson, AND A. Richard. The CompTox Chemistry Dashboard - A Community Data Resource for Environmental Chemistry. Journal of Cheminformatics. Springer, New York, NY, 9(61):1-27, (2017).