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Grulke, Chris, A. Williams, R. Judson, AND R. Thomas. A Flexible Web-Interface for Integrating Multiple Data Streams in Support of Risk Prioritization of Environmental Chemicals. Presented at ACS, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6986996

McEachran, A., K. Mansouri, S. Newton, B. Beverly, J. Sobus, AND A. Williams. A comparison of three liquid chromatography (LC) retention time prediction models. TALANTA. Elsevier Science Ltd, New York, NY, 182:371-379, (2018). https://doi.org/10.1016/j.talanta.2018.01.022

Williams, A., A. McEachran, J. Sobus, Chris Grulke, AND A. Richard. Accessing information for chemicals in hydraulic fracturing fluids using the US EPA CompTox Chemistry Dashboard. To be Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.7072757

Schymanski, E., J. Hollender, Chris Grulke, AND A. Williams. Adding Complex Expert Knowledge into Chemical Databases: Transforming Surfactants in Wastewater. Presented at American Chemical Society Spring National meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6852461

Schymanski, E., M. Stravs, T. Schulze, AND A. Williams. Automated Structure Annotation and Curation for MassBank: Potential and Pitfalls. Presented at American Chemical Society Spring National meeting, New Orleans, LA, March 18 - 22, 2018.

Mansouri, K., A. McEachran, Chris Grulke, A. Richard, R. Judson, AND A. Williams. Automated workflows for data curation and standardization of chemical structures for QSAR modeling. American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.

Patlewicz, G., L. Lizarraga, B. Owens, J. Lambert, S. Wesselkamper, J. Zhao, B. Hawkins, J. Dean, A. Williams, I. Shah, K. Favela, A. Yau, J. Bonzo, L. Moody, R. Thomas, AND J. Wambaugh. Building scientific confidence in metabolic similarity in read-across through the use of in vitro, in silico and analytical data. Presented at American Chemical Society Meeting Spring 2018, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6856580

Patlewicz, G., L. Lizarraga, B. Owens, J. Lambert, S. Wesselkamper, J. Zhao, B. Hawkins, J. Dean, A. Williams, I. Shah, K. Favela, A. Yau, J. Bonzo, L. Moody, R. Thomas, AND J. Wambaugh. Building scientific confidence in metabolic similarity in read-across through the use of in vitro, in silico and analytical data. SOT, Austin, TX, March 11 - 15, 2018.

Schymanski, E. AND A. Williams. Community Resources Connecting Chemistry and Toxicity Knowledge to Environmental Observations. Presented at Disease Maps Community Meeting, Paris, N/A, FRANCE, June 21 - 22, 2018. https://doi.org/10.23645/epacomptox.6945866

Fourches, D., A. Williams, G. Patlewicz, I. Shah, Chris Grulke, J. Wambaugh, A. Richard, AND A. Tropsha. Computational tools for ADMET profiling. Chapter 8, Computational Toxicology: Risk Assessment for Chemicals. John Wiley & Sons Inc, Malden, MA, , 211-244, (2018). https://doi.org/10.1002/9781119282594.ch8

Schymanski, E. AND A. Williams. Curating and sharing structures and spectra for the environmental community. Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.

Schymanski, E., R. Aalizadeh, N. Thomaidis, J. Hollender, N. Aligizakis, J. Slobodnik, AND A. Williams. Curating “Suspect Lists” for International Non-target Screening Efforts. Presented at American Chemical Society Spring National meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6854801

Williams, A. Delivering access to chemistry and bioassay data from the National Center for Computational Toxicology at the EPA. Presented at Collaborative Drug Discovery Vault Seminar, RTP, NC, June 12, 2018. https://doi.org/10.23645/epacomptox.6949913

Williams, A., R. Judson, Chris Grulke, AND R. Thomas. Development of a Tool for Integrating Traditional and New Approach Methodologies (NAMs) for Chemical Safety Decisions. Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.7019390

Judson, R., A. Williams, Chris Grulke, AND R. Thomas. Development of a Tool for Systematic Integration of Traditional and New Approach Methods for Prioritizing Chemical Lists. Society of Toxicology, San Antonio, TX, March 11 - 15, 2018.

Ulrich, E., J. Sobus, A. Richard, Chris Grulke, J. Wambaugh, S. Newton, A. McEachran, AND A. Williams. EPA’s Non-Targeted Analysis Research Program: Expanding public data resources in support of exposure science. Society of Toxicology, San Antonio, TX, March 11 - 15, 2018.

Schymanski, E. AND A. Williams. Finding small molecules in big data. Presented at Analytica Conference, Munich, N/A, GERMANY, April 10 - 12, 2018.

Grulke, Chris, A. Williams, AND A. Richard. Integration of Markush Structures into EPA’s DSSTox Database to Represent and Enumerate UVCB Substances. Presented at American Chemical Society Spring meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.6986933

Baker, N., T. Knudsen, AND A. Williams. Literature-based cheminformatics for research in chemical toxicity. ACS National Meeting, New Orleans, LA, March 18 - 22, 2018.

Williams, A., Chris Grulke, A. McEachran, G. Patlewicz, I. Shah, J. Wambaugh, A. Richard, R. Judson, AND J. Edwards. New developments in delivering public access to data from the National Center for Computational Toxicology at the EPA. Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.

Schymanski, E., R. Aalizadeh, N. Alygizakis, J. Hollender, M. Krauss, T. Schulze, J. Slobodnik, N. Thomaidis, AND A. Williams. Non-target Screening for Holistic Chemical Monitoring and Compound Discovery: Open Science, Real-time and Retrospective Approaches. Presented at Society of Environmental Toxicology and Chemistry Europe Annual Meeting, Rome, N/A, ITALY, May 13 - 17, 2018. https://doi.org/10.23645/epacomptox.6945635

Mansouri, K., C. Grulke, R. Judson, AND A. Williams. OPERA models for predicting physicochemical properties and environmental fate endpoints. Journal of Cheminformatics. Springer, New York, NY, 10:10, (2018). https://doi.org/10.1186/s13321-018-0263-1

Mansouri, K., Chris Grulke, R. Judson, AND A. Williams. OPERA: A free and open source QSAR tool for predicting physicochemical properties and environmental fate endpoints. Presented at American Chemical Society Spring 2018, New Orleans, LA, March 18 - 22, 2018.

Williams, A. AND E. Schymanski. Overview of open resources to support automated structure verification and elucidation. American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018.

Tkachenko, V., N. Cariello, A. Korotcov, K. Mansouri, AND A. Williams. Prediction Of pKa From Chemical Structure Using Free And Open-Source Tools. American Chemical Society Meeting Spring 2018, New Orleans, LA, March 18 - 22, 2018.