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25
of 72 records from [ORD-NCCT] published between 07/19/2013 and 07/19/2018 from author Kamel Mansouri
2018
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
Nicolas, C., K. Mansouri, P. McMullen, M. Minto, R. Clewell, M. Yoon, M. Phillips, G. Patlewicz, J. Wambaugh, AND H. Clewell III. Applying a Tiered Risk-based Approach to Prioritizing Thousands of Chemicals for Further Evaluation: A Comparison of Current High Throughput Computational Approaches . Presented at SETAC High Throuthput Screening and Environmental Risk Assessment, Durham, NC, April 16 - 18, 2018. https://doi.org/10.23645/epacomptox.6946037
Nicolas, C., K. Mansouri, P. McMullen, R. Clewell, M. Yoon, M. Phillips, G. Patlewicz, J. Wambaugh, AND H. Clewell. Applying a tiered risk-based approach to prioritizing thousands of chemicals for further evaluation: A comparison of current high throughput computational approaches. SOT 2018, San Antonio,TX, March 11 - 15, 2018. https://doi.org/10.23645/epacomptox.6837668
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.
Manganelli, S., A. Roncaglioni, K. Mansouri, R. Judson, E. Benfenati, A. Manganaro, AND P. Ruiz. Development, validation and integration of (Q)SAR models to identify androgen active chemicals. 18th International Conference on QSAR in Environmental and Health Sciences, BledS, June 11 - 15, 2018. https://doi.org/10.1016/j.chemosphere.2018.12.131
Strope, C., K. Mansouri, H. Clewell, J. Rabinowitz, C. Stevens, AND J. Wambaugh. High-Throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, Netherlands, 615:150-160, (2018). https://doi.org/10.1016/j.scitotenv.2017.09.033
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.
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.
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.
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
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).
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