Todd M. Martin

Environmental Protection Agency — United States

Computer Science · Physical Sciences

29h-index5.1kcitations57works11.02yr avg
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Research Topics

Computational Drug Discovery Methods(27), Analytical Chemistry and Chromatography(8), Chemistry and Chemical Engineering(8), Toxic Organic Pollutants Impact(6), Environmental Toxicology and Ecotoxicology(6)

Publications57 total

Physicochemical Property Models for Poly- and Perfluorinated Alkyl Substances and Other Chemical Classes
Journal of Chemical Information and Modeling·2025
Correction to Citation in “Combined <i>In Vitro</i> and <i>In Silico</i> Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity”
Journal of Chemical Information and Modeling·2025
Combined <i>In Vitro</i> and <i>In Silico</i> Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity
Journal of Chemical Information and Modeling·2025· 3 cited
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
Journal of Cheminformatics·2024· 41 citedOpen Access
Sunrise of PFAS Replacements: A Perspective on Fluorine-Free Foams
ACS Sustainable Chemistry & Engineering·2023· 40 citedOpen Access
Transparency in Modeling through Careful Application of OECD’s QSAR/QSPR Principles via a Curated Water Solubility Data Set
Chemical Research in Toxicology·2023· 23 citedOpen Access
Finding Potential Replacements for TRI Solvents Using the Environmental Impact of the Average Solvent
Journal of Solution Chemistry·2022· 2 citedOpen Access
Developing innovative treatment technologies for PFAS-containing wastes
Journal of the Air & Waste Management Association·2021· 55 citedOpen Access
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
Environmental Health Perspectives·2021· 29 citedOpen Access
Integrating publicly available information to screen potential candidates for chemical prioritization under the Toxic Substances Control Act: A proof of concept case study using genotoxicity and carcinogenicity
Computational Toxicology·2021· 6 citedOpen Access
Detection and toxicity modeling of anthraquinone dyes and chlorinated side products from a colored smoke pyrotechnic reaction
Chemosphere·2021· 14 citedOpen Access
Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
Environmental Health Perspectives·2021· 6 citedOpen Access
CATMoS: Collaborative Acute Toxicity Modeling Suite
Environmental Health Perspectives·2021· 129 citedOpen Access
An evaluation of existing QSAR models and structural alerts and development of new ensemble models for genotoxicity using a newly compiled experimental dataset
Computational Toxicology·2021· 29 citedOpen Access
Quantitative Structure−Activity Relationship Modeling of Rat Acute Toxicity by Oral Exposure
UNC Libraries·2020Open Access
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
Environmental Health Perspectives·2020· 199 citedOpen Access
An automated framework for compiling and integrating chemical hazard data
Clean Technologies and Environmental Policy·2020· 35 citedOpen Access
The software tool to find greener solvent replacements, PARIS III
Environmental Progress & Sustainable Energy·2019· 24 citedOpen Access
Mode of Action Classifications in the EnviroTox Database: Development and Implementation of a Consensus MOA Classification
Environmental Toxicology and Chemistry·2019· 43 citedOpen Access
Linking Molecular Structure via Functional Group to Chemical Literature for Establishing a Reaction Lineage for Application to Alternatives Assessment
ACS Sustainable Chemistry & Engineering·2019· 4 citedOpen Access
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Frequent Co-authors

Douglas M. Young(8), Emilio Benfenati(7), Paul Harten(7), Alexander Tropsha(7), Douglas Young(6), Chris Grulke(6), Grace Patlewicz(6), Mace G. Barron(6), Christopher B. Roberts(6), Richard Judson(5), Antony Williams(5), Eugene Muratov(5), Hao Zhu(5), Roberto Todeschini(5), Denis Fourches(5), Gilles Marcou(5), Igor V. Tetko(5), Kamel Mansouri(5), Prachi Pradeep(5), Domenico Alberga(4)