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Records 1 to 25 of 79 records from [ORD-NCCT] published between 12/17/2012 and 12/17/2017 from author Antony Williams

2017
McEachran, A., J. Sobus, AND A. Williams. Identifying "known unknowns": A comparison between ChemSpider and the US EPA's CompTox Dashboard (ACS Spring National meeting) 1 of 7. Presented at ACS National Spring Meeting, San Francisco, CA, April 02 - 06, 2017.
Zang, Q., K. Mansouri, A. Williams, R. Judson, D. Allen, W. Casey, AND N. Kleinstreuer. In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 57(1):36-49, (2017).
Williams, A. Incorporating new technologies and high-throughput approaches in the design and selection of chemical alternatives (21st Annual Green Chemistry & Engineering Conference). Presented at 21st An Green Chemistry & Eng Conf, Reston, VA, June 15, 2017.
McEachran, A., K. Mansouri, S. Newton, B. Beverley, J. Sobus, AND A. Williams. A Comparison of three chromatographic retention time prediction models (ACS 2017 Fall meeting 2 of 3). Presented at 254th American Chemical Society National Meeting, Washington, D.C, August 20 - 24, 2017.
Wist, J., J. Nuzillard, N. Schloerer, S. Kuhn, M. Pupier, M. Erdelyi, C. Steinbeck, P. Giraudeau, R. Gil, A. Williams, C. Butts, K. Pavel, F. Moriaud, M. Elyashberg, D. Argyropoulos, M. Perez, G. Martin, P. Trevorrow, D. Jeannerat, AND B. Mikhova. A Cross-platform Format to Associate NMR-extracted data (NMReDATA) to Chemical Structures. SMASHNMR, BavenoI, September 17 - 20, 2017.
Wist, J., J. Nuzillard, N. Schloerer, S. Kuhn, M. Pupier, M. Erdelyi, C. Steinbeck, A. Williams, D. Jeannerat, K. Pavel, F. Moriaud, M. Elyashberg, M. Pérez, P. Giraudeau, R. Gil, G. Martin, AND P. Trevorrow. A cross-platform format to associate NMR-extracted data (NMReDATA) to chemical structures (EUROMAR 2017). Presented at EUROMAR2017, Warsaw, N/A, POLAND, July 02 - 06, 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.