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Records 51 to 75 of 127 records from author Kamel Mansouri

2018

Judson, R., K. Paul-Friedman, K. Houck, K. Mansouri, P. Browne, AND N. Kleinstreuer. New Approach Methods for Testing Chemicals for Endocrine Disruption Potential. Current Opinion in Toxicology. Elsevier BV, AMSTERDAM, Netherlands, 9:40-47, (2018). https://doi.org/10.1016/j.cotox.2018.10.002

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.

Mansouri, K., N. Cariello, A. Korotcov, V. Tkachenko, W. Casey, N. Kleinstreuer, D. Allen, Chris Grulke, AND A. Williams. Open Source QSAR Models For pKa Prediction Using Multiple Machine Learning Approaches. Presented at The American Society for Cellular and Computational Toxicology (ASCCT), Bethesda, MD, September 11, 2018. https://doi.org/10.23645/epacomptox.7157207

Truong, L., G. Ouedraogo, L. Pham, J. Clouzeau, S. Loisel-Joubert, D. Blanchet, H. Noçairi, Woodrow Setzer, R. Judson, Chris Grulke, K. Mansouri, AND M. Martin. Predicting In Vivo Effect Levels for Repeat Dose Systemic Toxicity using Chemical, Biological, Kinetic and Study Covariates. Archives of Toxicology. Springer, New York, NY, 92(2):587-600, (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.

Kleinstreuer, N., A. Karmaus, K. Mansouri, D. Allen, J. Fitzpatrick, AND G. Patlewicz. Predictive Models for Acute Oral Systemic Toxicity: A Workshop to Bridge the Gap from Research to Regulation. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 8(11):21-24, (2018). https://doi.org/10.1016/j.comtox.2018.08.002

Nicolas, C., K. Mansouri, K. Phillips, Chris Grulke, A. Richard, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, AND J. Wambaugh. Rapid Experimental Estimates of Physicochemical Properties to Inform Models and Testing. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 636:901-909, (2018). https://doi.org/10.1016/j.scitotenv.2018.04.266

Nicolas, C., K. Mansouri, K. Phillips, Chris Grulke, A. Richard, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, AND J. Wambaugh. Rapid collection of experimental physicochemical property data to inform various models and testing methods. American Chemical Society Annual Meeting, New Orleans,LA, March 18 - 22, 2018.

Ulrich, E., J. Sobus, J. Grossman, A. Chao, R. Singh, A. McEachran, K. Mansouri, S. Newton, Chris Grulke, A. Richard, AND A. Williams. Study Design and Initial Results for EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT) (SETAC 11/04/2018). 2018 SETAC North America, Sacramento, CA, November 04 - 08, 2018.

Newton, S., R. McMahen, J. Sobus, K. Mansouri, A. Williams, A. McEachran, AND M. Strynar. Suspect Screening and Non-Targeted Analysis of Drinking Water Using Point-Of-Use Filters. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, 234:297-306, (2018).

Williams, A., A. McEachran, I. Shah, R. Judson, J. Wambaugh, N. Baker, G. Helman, Chris Grulke, K. Mansouri, G. Patlewicz, A. Richard, J. Dunne, AND J. Edwards. The EPA Comptox Dashboard as a Data Integration Hub for Environmental Chemistry Data. Presented at American Chemical Society Fall Meeting, Boston, MA, August 19 - 23, 2018. https://doi.org/10.23645/epacomptox.7005794

Williams, A., Chris Grulke, K. Mansouri, K. Dionisio, K. Phillips, G. Patlewicz, I. Shah, K. Isaacs, T. Martin, J. Wambaugh, A. Richard, AND R. Judson. The US EPA CompTox Chemistry Dashboard as a source of data to fill data gaps for chemical sources of risk. Presented at American Chemical Society Spring meeting, New Orleans, LA, March 18 - 22, 2018.

Mansouri, K., N. Kleinstreuer, Chris Grulke, A. Richard, I. Shah, A. Williams, AND R. Judson. Virtual screening of chemicals for endocrine disrupting activity through CERAPP and CoMPARA projects. Presented at Society of Toxicology, San Antonio, TX, March 11 - 15, 2018. https://doi.org/10.23645/epacomptox.6837800

Williams, A., T. Martin, V. Tkachenko, K. Mansouri, AND Chris Grulke. Web-based access to experimental and predicted data for environmental fate, transport and toxicity data. Presented at American Chemical Society Fall Meeting, Boston, MA, August 19 - 23, 2018. https://doi.org/10.23645/epacomptox.7100747

McEachran, A., K. Mansouri, Chris Grulke, E. Schymanski, C. Ruttkies, AND A. Williams. “MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies. Journal of Cheminformatics. Springer, New York, NY, 10(45):1-16, (2018).

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).

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.

Pradeep, P., K. Mansouri, G. Patlewicz, AND R. Judson. A systematic evaluation of analogs and automated read-across prediction of estrogenicity: A case study using hindered phenols. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 4:22-30, (2017).

Leonard, J., D. Chang, H. El-Masri, S. Edwards, C. Stevens, K. Mansouri, P. Egeghy, AND C. Tan. A tiered approach for integrating exposure and dosimetry with in vitro dose-response data in the modern risk assessment paradigm. 254th ACS National Meeting & Exposition, Washington, DC, 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