Office of Research and Development Publications

National Risk Management Research Laboratory (NRMRL) Research Publications

Records 1 to 25 of 46 records from ORD-NRMRL from author Todd Martin

Barrett, William.M, S. Takkellapati, K. Tadele, T. Martin, AND M. Gonzalez. Linking Molecular Structure to Functional Group and Chemical Literature Using a Chemical Reaction Database. 2018 AIChE Annual Meeting, Pittsburg, PA, October 28 - November 02, 2018.
Barrett, W., S. Takkellapati, K. Tadele, T. Martin, AND M. Gonzalez. Supporting Chemical Alternative Assessment via Synthesis Information Based On Chemical Structure Using a Name Reaction Database. 7th International Congress on Sustainability Science & Engineering, Cincinnati, Ohio, August 12 - 15, 2018.
Martin, T. AND L. Vegosen. Development of the Alternatives Assessment Dashboard. ICOSSE, Cincinnati, Ohio, August 12 - 15, 2018.
Martin, T., A. Williams, AND V. Tkachenko. Prediction of toxicity and comparison of alternatives using WebTEST (Web-services Toxicity Estimation Software Tool)(Bled Slovenia). To be Presented at 18th International Conference on QSAR, Bled, N/A, SLOVENIA, June 11 - 15, 2018.
Martin, T., A. Williams, AND V. Tkachenko. Prediction of toxicity and comparison of alternatives using WebTEST (Web-services Toxicity Estimation Software Tool). QSAR 2018, Bled, N/A, SLOVENIA, June 11 - 15, 2018.
Martin, T., C. Lilavois, AND M. Barron. Prediction of pesticide acute toxicity using two-dimensional chemical descriptors and target species classification. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 28(6):525-539, (2017). https://doi.org/10.1080/1062936X.2017.1343204
Martin, T. Overview of T.E.S.T. (Toxicity Estimation Software Tool). Topics on Data Mining and QSPR: theory, applications, and publishing, Mexico CityM, June 18 - 21, 2017.
Martin, T. Generation of GHS Scores from TEST and online sources. Topics on Data Mining and QSPR: Theory, Applications, and Publishing Conference, Mexico CityM, June 18 - 21, 2017.
Martin, T. Generation of Alternative Assessment Scores using TEST and online data sources. 253rd A,merican Chemical Society National Meeting, San Francisco, CA, April 02 - 06, 2017.
Martin, T., P. Harten, AND D. Young. TEST (Toxicity Estimation Software Tool) Ver 4.1. U.S. Environmental Protection Agency, Washington, DC, EPA/600/C-12/006, 2012.
Martin, T. A framework for an alternatives assessment dashboard for evaluating chemical alternatives applied to flame retardants for electronic applications. CLEAN TECHNOLOGIES AND ENVIRONMENTAL POLICY. Springer-Verlag, New York, NY, 19(4):1067-1086, (2017). https://doi.org/10.1007/s10098-016-1300-2
Martin, T. Toxicity Estimation Software Tool (TEST). U.S. Environmental Protection Agency, Washington, DC, 2016.
Martin, T. User’s Guide for T.E.S.T. (version 4.2) (Toxicity Estimation Software Tool) A Program to Estimate Toxicity from Molecular Structure. US EPA Office of Research and Development, Washington, DC, EPA/600/R-16/058, 2016.
Martin, T. Prediction of in vitro and in vivo oestrogen receptor activity using hierarchical clustering. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 27(1):17-30, (2016).
Martin, T., D. Young, CrystalR Jackson, AND M. Barron. Comparison of Global and Mode of Action-Based Models for Aquatic Toxicity. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 26(3):245-262, (2015).
Martin, T. M., Chris M. Grulke, D. M. Young, C. L. Russom, N. Y. Wang, C. R. Jackson, AND M. G. Barron. Prediction of aquatic toxicity mode of action using linear discriminant and random forest models. Journal of Chemical Information and Modeling. ACS Publications, Washington, DC, 53(9):2229-2239, (2013).
Benfenati, E., S. Pardoe, AND T. Martin. Using Toxicological Evidence from QSAR Models in Practice. ALTEX. Society ALTEX Edition, Kuesnacht, Switzerland, , 01-40, (2013).
Martin, T. M., P. Harten, D. M. Young, E. N. Muratov, A. Golbraikh, H. Zhu, AND A. Tropsha. Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling? Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 52(10):2570-2578, (2012).
MARTIN, T. M. Estimation of toxicity using the Toxicity Estimation Software Tool (TEST). U.S. Environmental Protection Agency, Washington, DC, EPA/600/F-11/019, 2012.
MARTIN, T. M. AND D. M. YOUNG. Environmental Optimization Using the WAste Reduction Algorithm (WAR). U.S. Environmental Protection Agency, Washington, DC, EPA/600/F-11/027, 2012.
MOUDGAL, C., D. M. YOUNG, T. NICHOLS, T. M. MARTIN, P. F. HARTEN, R. VENKATAPATHY, G. N. STELMA, S. Siddhanti, AND C. Baier-Anderson. Report of the Workshop on the Application of QSARs and VFARs to the Rapid Risk Assessment Process at NHSRC and NRMRL. July 2008, SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 19(5 & 6):579-587, (2009).
Sushko, I., S. Novotarskyi, R. Körner, A. Pandey, A. Cherkasov, J. Li, P. Gramatica, K. Hansen, T. Schroeter, K. Mueller, L. Xi, H. Liu, X. Yao, T. Öberg, F. Hormozdiari, Dao, C. Sahinalp, R. Todeschini, P. Polishchuk, A. Artemenko, V. Kuz'min, T. M. MARTIN, D. M. YOUNG, D. Fourches, E. Muratov, A. Tropsha, I. Baskin, D. Horvath, G. Marcou, C. Muller, A. Varnek, V. V. Prokopenko, AND I. V. Tetko. Applicability domains for classification problems: benchmarking of distance to models for AMES mutagenicity set. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 50(12):2094-2111, (2010).
Cassano, A., A. Manganaro, T. M. MARTIN, D. M. YOUNG, N. Piclin, M. Pintore, D. Bigoni, AND E. Benfenati. The CAESAR models for developmental toxicity. Chemistry Central Journal. BioMed Central Ltd, London, Uk, 4(Suppl 1):S4, (2010).
MARTIN, T. M. AND D. M. YOUNG. Prediction of Solvent Physical Properties using the Hierarchical Clustering Method. Presented at 2010 Fall ACS Meeting, Boston, MA, August 22 - 26, 2010.
Zhu, H., A. Tropsha, T. M. MARTIN, AND D. M. YOUNG. Consensus Modeling of Oral Rat Acute Toxicity. Presented at QSAR 2010 Workshop, Montreal, QC, CANADA, May 24 - 28, 2010.