Systematic derivation of implicit solvent models for the study of polymer collapse. - Bin Song 003; Nathaniel Charest; Herbert Alexander Morriss-Andrews; Valeria Molinero; Joan-Emma Shea (J. Comput. Chem., 2017)

Computational Model Development and Validation on Systems of Biochemical Polymers - Nathaniel Charest (2020)

Paths to cheminformatics: Q&A with Nathaniel Charest. - Nathaniel Charest (J. Cheminformatics, 2023)

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)