Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. - Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Artem Cherkasov; Jiazhong Li; Paola Gramatica; Katja Hansen; Timon Schroeter; Klaus-Robert Müller; Lili Xi; Huanxiang Liu; et al. (J. Chem. Inf. Model., 2010)

Implementation of the waste reduction (WAR) algorithm utilizing flowsheet monitoring. - William Martin Barrett Jr.; Jasper van Baten; Todd M. Martin (Comput. Chem. Eng., 2011)

Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling? - Todd M. Martin; Paul Harten; Douglas M. Young; Eugene N. Muratov; Alexander Golbraikh; Hao Zhu 012; Alexander Tropsha (J. Chem. Inf. Model., 2012)

Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models. - Todd M. Martin; Christopher M. Grulke; Douglas M. Young; Christine L. Russom; Nina Y. Wang; Crystal R. Jackson; Mace G. Barron (J. Chem. Inf. Model., 2013)

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. - Kamel Mansouri; José T. Moreira-Filho; Charles N. Lowe; Nathaniel Charest; Todd M. Martin; Valery Tkachenko; Richard S. Judson; Mike Conway; Nicole C. Kleinstreuer; Antony J. Williams (J. Cheminformatics, 2024)

Combined In Vitro and In Silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity. - Nathaniel Charest; Gabriel Sinclair; Stephanie A. Eytcheson; Daniel T. Chang; Todd M. Martin; Charles N. Lowe; Katie Paul Friedman; Antony J. Williams (J. Chem. Inf. Model., 2025)

Correction to Citation in "Combined In Vitro and In Silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity". - Nathaniel Charest; Gabriel Sinclair; Stephanie A. Eytcheson; Daniel T. Chang; Todd M. Martin; Charles N. Lowe; Katie Paul Friedman; Antony J. Williams (J. Chem. Inf. Model., 2025)