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Records 1 to 25 of 118 records from author Todd Martin

2024
Mansouri, K., J. Moreira-Filho, C. Lowe, N. Charest, T. Martin, V. Tkachenko, R. Judson, M. Conway, N. Kleinstreuer, AND A. Williams. Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. Journal of Cheminformatics. Springer, New York, NY, 16(1):19, (2024). https://doi.org/10.1186/s13321-024-00814-3
Williams, A., T. Martin, AND V. Tkachenko. Proof-of-Concept Publicly Accessible Data Dashboards from the US-EPA. SOT, Salt Lake City, UT, March 10 - 14, 2024. https://doi.org/10.23645/epacomptox.25408579
2023
Williams, A., T. Martin, AND V. Tkachenko. Accessing chemical hazard and safety data via the internet. DECON, Charleston, SC, December 05 - 07, 2023. https://doi.org/10.23645/epacomptox.24553123
Williams, A., T. Martin, AND V. Tkachenko. Accessing chemical hazard and safety data via the internet (SERMACS 2023). SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24794361
Williams, A., G. Janesch, E. Carr, C. Lowe, N. Charest, T. Martin, V. Tkachenko, A. Chao, J. Minucci, A. Rashid, AND J. Sobus. Cheminformatics tools and chemistry data underpinning mass spectrometry analyses at the US-EPA. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24520651
Williams, A., G. Janesch, E. Carr, A. Edelman-Munoz, C. Ramsland, C. Lowe, N. Charest, A. Rashid, V. Tkachenko, AND T. Martin. Chemistry data delivery from the US-EPA to support environmental chemistry. ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23960955
Williams, A., G. Janesch, E. Carr, A. Edelman-Munoz, C. Ramsland, N. Charest, A. Rashid, V. Tkachenko, AND T. Martin. Chemistry data delivery from the US-EPA to support environmental chemistry (SETAC 2023). SETAC, Louisville, KY, November 12 - 16, 2023. https://doi.org/10.23645/epacomptox.24794529
Martin, T., Nate Charest, AND A. Williams. Comparison of supervised vs unsupervised applicability domain measures. SOT, Nashville, TN, March 19 - 23, 2023. https://doi.org/10.23645/epacomptox.22064690
Martin, T. Dissemination of Model Metadata via the Cheminformatics Modules. FDA Cheminformatics Workshop, Silver Springs, MD, October 18 - 20, 2023. https://doi.org/10.23645/epacomptox.24328519
Martin, T., C. Ramsland, N. Charest, C. Lowe, AND A. Williams. Estimation of physicochemical properties for PFAS (Per- and Polyfluoroalkyl Substances) using WebTEST 2.0. QSAR, Copenhagen, DENMARK, June 05 - 09, 2023. https://doi.org/10.23645/epacomptox.23285189
Martin, T., C. Ramsland, N. Charest, C. Lowe, AND A. Williams. Impact of feature selection on QSAR and read-across. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24790581
Mansouri, K., T. Martin, X. Chang, D. Allen, A. Williams, AND N. Kleinstreuer. OPERA models supporting regulatory needs (SOT 2023). SOT, Nashville, TN, March 19 - 23, 2022. https://doi.org/10.23645/epacomptox.22551853
Mansouri, K., T. Martin, X. Chang, D. Allen, A. Williams, AND N. Kleinstreuer. OPERA: Open-Source QSAR Models for Regulatory Support. SETAC, Louisville, KY, November 12 - 16, 2023. https://doi.org/10.23645/epacomptox.24526729
Williams, A., T. Martin, AND V. Tkachenko. Sourcing chemical hazard and safety data for PFAS chemicals via a US-EPA online chemical portal. SERDP, Arlington, VA, November 28 - December 01, 2023. https://doi.org/10.23645/epacomptox.24970128
Ibrahim, Mohamed Ateia, J. Van Buren, W. Barrett, T. Martin, AND G. Back. Sunrise of PFAS Replacements: A Perspective on Fluorine-Free Foams. ACS Sustainable Chemistry & Engineering. American Chemical Society, Washington, DC, 11(21):7986-7996, (2023). https://doi.org/10.1021/acssuschemeng.3c01124
Lowe, C., N. Charest, C. Ramsland, D. Chang, T. Martin, AND A. Williams. Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 36(3):465-478, (2023). https://doi.org/10.1021/acs.chemrestox.2c00379
Charest, N., C. Lowe, D. Chang, C. Ramsland, T. Martin, AND A. Williams. Transparency in QSXR Modeling: Modernizing to a Machine Learning Paradigm. QSAR, Copenhagen, DENMARK, June 05 - 09, 2023. https://doi.org/10.23645/epacomptox.23279843.v1
Charest, N., C. Lowe, D. Chang, C. Ramsland, T. Martin, AND A. Williams. Transparency in QSXR Modeling: Modernizing to a Machine Learning Paradigm (ACS 2023). ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23823828
2022
Charest, N., G. Sinclair, C. Ramsland, T. Martin, AND A. Williams. An Analysis of Overfitting in Modern QSAR Models. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20505615
Lowe, C., N. Charest, C. Ramsland, T. Martin, A. Richard, AND A. Williams. Benchmarking novel curation strategies for large publicly available water solubility compilations. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20513922
Sinclair, G., C. Lowe, N. Charest, C. Ramsland, T. Martin, A. Richard, AND A. Williams. Benchmarking novel curation strategies for large publicly available water solubility compilations (ACS). ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20993776