Ligand atom partial charges assignment for complementary electrostatic potentials. - S. L. Chan; P.-L. Chau; Jonathan M. Goodman (J. Comput. Aided Mol. Des., 1992)

What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?. - Jonathan M. Goodman (J. Chem. Inf. Comput. Sci., 1997)

Genetic Algorithms in Conformational Analysis. - Nikhil Nair; Jonathan M. Goodman (J. Chem. Inf. Comput. Sci., 1998)

A promising enantioselective Diels-Alder dienophile by computer-assisted rational design: 2, 5-diphenyl-1-vinyl-borolane. - Silvina C. Pellegrinet; María A. Silva; Jonathan M. Goodman (J. Comput. Aided Mol. Des., 2004)

What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?. - K. M. Nalin de Silva; Jonathan M. Goodman (J. Chem. Inf. Model., 2005)

Solvent Effects and Conformational Stability of a Tripeptide. - Maxim V. Fedorov; Stephan Schumm; Jonathan M. Goodman (CompLife, 2006)

The ROBIA Program for Predicting Organic Reactivity. - Ingrid M. Socorro; Jonathan M. Goodman (J. Chem. Inf. Model., 2006)

Computational assessment of synthetic procedures. - Jonathan M. Goodman; Ingrid M. Socorro (J. Comput. Aided Mol. Des., 2007)

Exploration of the Accessible Chemical Space of Acyclic Alkanes. - Robert S. Paton; Jonathan M. Goodman (J. Chem. Inf. Model., 2007)

Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements? - Antonio Llinàs; Robert C. Glen; Jonathan M. Goodman (J. Chem. Inf. Model., 2008)

Computer Software Review: Reaxys. - Jonathan M. Goodman (J. Chem. Inf. Model., 2009)

Findings of the Challenge To Predict Aqueous Solubility. - Anton J. Hopfinger; Emilio Xavier Esposito; Antonio Llinàs; Robert C. Glen; Jonathan M. Goodman (J. Chem. Inf. Model., 2009)

Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions. - Robert S. Paton; Jonathan M. Goodman (J. Chem. Inf. Model., 2009)

International chemical identifier for reactions (RInChI). - Guenter Grethe; Jonathan M. Goodman; Chad H. G. Allen (J. Cheminformatics, 2013)

International chemical identifier for chemical reactions. - Guenter Grethe; Jonathan M. Goodman; Chad H. G. Allen (J. Cheminformatics, 2013)

A possible extension to the RInChI as a means of providing machine readable process data. - Philipp-Maximilian Jacob; Tian Lan; Jonathan M. Goodman; Alexei A. Lapkin (J. Cheminformatics, 2017)

International chemical identifier for reactions (RInChI). - Guenter Grethe; Gerd Blanke; Hans Kraut; Jonathan M. Goodman (J. Cheminformatics, 2018)

Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors. - Timothy E. H. Allen; Matthew N. Grayson; Jonathan M. Goodman; Steve Gutsell; Paul J. Russell (J. Chem. Inf. Model., 2018)

InChI version 1.06: now more than 99.99% reliable. - Jonathan M. Goodman; Igor V. Pletnev; Paul A. Thiessen; Evan Bolton; Stephen R. Heller (J. Cheminformatics, 2021)

CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. - Ching Ching Lam; Jonathan M. Goodman (J. Chem. Inf. Model., 2023)

Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence. - Jonathan Lam; Richard J. Lewis; Jonathan M. Goodman (J. Cheminformatics, 2023)

Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity. - Ruslan Kotlyarov; Konstantinos Papachristos; Geoffrey P. F. Wood; Jonathan M. Goodman (J. Chem. Inf. Model., 2024)

HSQC Spectra Simulation and Matching for Molecular Identification. - Martin Priessner; Richard J. Lewis; Magnus J. Johansson; Jonathan M. Goodman; Jon Paul Janet; Anna Tomberg (J. Chem. Inf. Model., 2024)