Next >>

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).

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.

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.

Mansouri, K., N. Kleinstreuer, Eric Watt, J. Harris, AND R. Judson. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (SOT). Presented at SOT, Baltimore, Maryland, March 12 - 16, 2017. https://doi.org/10.23645/epacomptox.5176876

Mansouri, K. AND R. Judson. Consensus models to predict endocrine disruption for all human-exposure chemicals (AAAS Annual Meeting). Presented at AAAS annual meeting, Boston, MA, February 16 - 20, 2017. https://doi.org/10.23645/epacomptox.5057698

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

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

Wambaugh, J., B. Wetmore, K. Mansouri, B. Ingle, R. Tornero-Velez, R. Judson, K. Isaacs, K. Phillips, C. Nicolas, Woodrow Setzer, AND R. Thomas. Integrating Toxicity, Toxicokinetic, and Exposure Data for Risk-based Chemical Alternatives Assessment. International Society of Exposure Science annual meeting, Morrisville,NC, October 15 - 19, 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

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.

Williams, A., T. Martin, V. Tkachenko, Chris Grulke, AND K. Mansouri. Real-time prediction of Physicochemical and Toxicological Endpoints Using the Web-based CompTox Chemistry Dashboard (ACS Fall meeting) 10 of 12. Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.

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.

Frame, Alicia, A. Williams, R. Judson, A. Mageid, G. Patlewicz, I. Shah, J. Wambaugh, J. Smith, K. Mansouri, Chris Grulke, AND J. Edwards. The CompTox Dashboard & Emerging Contaminants in the Superfund Program. Presented at ACS Fall Meeting, Washington,DC, August 20 - 24, 2017. https://doi.org/10.23645/epacomptox.6807212

Williams, A., Chris Grulke, J. Smith, K. Mansouri, A. McEachran, G. Patlewicz, J. Fitzpatrick, A. Richard, AND J. Edwards. The EPA CompTox Chemistry Dashboard - an online resource for environmental chemists (ACS Spring Meeting). Presented at ACS Spring Meeting, San Francisco, CA, April 02 - 06, 2017.

Williams, A., Chris Grulke, K. Mansouri, J. Smith, J. Fitzpatrick, G. Patlewicz, I. Shah, A. Richard, AND J. Edwards. The EPA Comptox Chemistry Dashboard: A Web-Based Data Integration Hub for Toxicology Data (SOT). Presented at SOT Nat. Meeting, Baltimore, MD, March 12 - 16, 2017. https://doi.org/10.23645/epacomptox.5176750

Grulke, C., I. Thillainadarajah, R. Sayre, K. Mansouri, A. Williams, AND A. Richard. Using semi-automated curation workflows to collect, organize, and curate the data and models necessary to support the EPA CompTox chemical dashboard (ACS Spring meeting). Presented at ACS Spring meeting, San Fransisco, CA, April 01 - 06, 2017. https://doi.org/10.23645/epacomptox.5057974

Pradeep, P., K. Mansouri, G. Patlewicz, AND R. Judson. A Systematic Evaluation of Analogs and Automated Read-across Prediction of Estrogenicity (QSAR2016). Presented at QSAR 2016, Miami, FL, June 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5189395

Pradeep, P., K. Mansouri, G. Tier, AND R. Judson. A Systematic Evaluation of Analogs for the Read-across Prediction of Estrogenicity (SOT). Presented at Society of Toxicology Annual Meeting, New Orleans, LA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5173777

Pradeep, P., K. Mansouri, G. Patlewicz, AND R. Judson. A Systematic Evaulation of Analogs and Automated Read-across Prediction of Estrogenicity (BOSC). Presented at BOSC CSS Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5181022

Richard, A., Chris Grulke, K. Mansouri, R. Judson, AND A. Williams. An Online Prediction Platform to Support the Environmental Sciences (American Chemical Society). Presented at ACS Spring Meeting, San Diego, CA, March 13 - 17, 2016.

Mansouri, K., Chris Grulke, A. Richard, R. Judson, AND A. Williams. An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 27(11):911-937, (2016).

Williams, A. AND K. Mansouri. An examination of data quality on QSAR Modeling in regards to the environmental sciences (UNC-CH talk). Presented at UNC-CH Talk, Chapel Hill, NC, April 12, 2016. https://doi.org/10.23645/epacomptox.5063236

Mansouri, K., A. Abdelaziz, A. Rybacka, A. Roncaglioni, A. Tropsha, A. Varnek, A. Zakharov, A. Worth, A. Richard, Chris Grulke, D. Trisciuzzi, D. Fourches, D. Horvath, E. Benfenati, E. Muratov, E. Wedebye, F. Grisoni, G. Mangiatordi, G. Incisivo, H. Hong, H. Ng, I. Tetko, I. Balabin, J. Kancherla, J. Shen, J. Burton, M. Nicklaus, M. Cassotti, N. Nikolov, O. Nicolotti, P. Andersson, Q. Zang, R. Politi, R. Beger, R. Todeschini, R. Huang, S. Farag, S. Rosenberg, S. Slavov, X. Hu, AND R. Judson. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(7):1023-1033, (2016).

Williams, A., K. Mansouri, T. Martin, Chris Grulke, J. Wambaugh, R. Judson, G. Patlewicz, I. Shah, AND A. Richard. Delivering The Benefits of Chemical-Biological Integration in Computational Toxicology at the EPA (ACS Fall meeting). Presented at ACS Fall Meeting, Phildelphia, PA, August 21 - 25, 2016. https://doi.org/10.23645/epacomptox.5058490

Williams, A., A. McEachran, J. Sobus, S. Newton, E. Ulrich, Chris Grulke, K. Mansouri, J. Smith, AND J. Edwards. Environmental Chemistry Compound Identification Using High Resolution Mass Spectrometry Data Integrated to the EPA Chemistry Dashboard (EAS). Presented at EAS, Somerset, NJ, November 14 - 16, 2016. https://doi.org/10.23645/epacomptox.5056390