Jonathan M. Goodman

Publication Activity (10 Years)

Years Active: 1997-2024
Publications (10 Years): 8

Top Topics

Hyperspectral Images

Chemical Reactions

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Martin Priessner, Richard J. Lewis, Magnus J. Johansson, Jonathan M. Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. J. Chem. Inf. Model. 64 (8) (2024)
Ruslan Kotlyarov, Konstantinos Papachristos, Geoffrey P. F. Wood, Jonathan M. Goodman
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity. J. Chem. Inf. Model. 64 (10) (2024)
Ching Ching Lam, Jonathan M. Goodman
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. J. Chem. Inf. Model. 63 (14) (2023)
Jonathan Lam, Richard J. Lewis, Jonathan M. Goodman
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence. J. Cheminformatics 15 (1) (2023)
Jonathan M. Goodman, Igor V. Pletnev, Paul A. Thiessen, Evan Bolton, Stephen R. Heller
InChI version 1.06: now more than 99.99% reliable. J. Cheminformatics 13 (1) (2021)
Timothy E. H. Allen, Matthew N. Grayson, Jonathan M. Goodman, Steve Gutsell, Paul J. Russell
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors. J. Chem. Inf. Model. 58 (6) (2018)
Guenter Grethe, Gerd Blanke, Hans Kraut, Jonathan M. Goodman
International chemical identifier for reactions (RInChI). J. Cheminformatics 10 (1) (2018)
Philipp-Maximilian Jacob, Tian Lan, Jonathan M. Goodman, Alexei A. Lapkin
A possible extension to the RInChI as a means of providing machine readable process data. J. Cheminformatics 9 (1) (2017)
Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen
International chemical identifier for chemical reactions. J. Cheminformatics 5 (S-1) (2013)
Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen
International chemical identifier for reactions (RInChI). J. Cheminformatics 5 (2013)
Robert S. Paton, Jonathan M. Goodman
Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions. J. Chem. Inf. Model. 49 (4) (2009)
Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman
Findings of the Challenge To Predict Aqueous Solubility. J. Chem. Inf. Model. 49 (1) (2009)
Jonathan M. Goodman
Computer Software Review: Reaxys. J. Chem. Inf. Model. 49 (12) (2009)
Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman
Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements? J. Chem. Inf. Model. 48 (7) (2008)
Robert S. Paton, Jonathan M. Goodman
Exploration of the Accessible Chemical Space of Acyclic Alkanes. J. Chem. Inf. Model. 47 (6) (2007)
Jonathan M. Goodman, Ingrid M. Socorro
Computational assessment of synthetic procedures. J. Comput. Aided Mol. Des. 21 (6) (2007)
Ingrid M. Socorro, Jonathan M. Goodman
The ROBIA Program for Predicting Organic Reactivity. J. Chem. Inf. Model. 46 (2) (2006)
Maxim V. Fedorov, Stephan Schumm, Jonathan M. Goodman
Solvent Effects and Conformational Stability of a Tripeptide. CompLife (2006)
K. M. Nalin de Silva, Jonathan M. Goodman
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?. J. Chem. Inf. Model. 45 (1) (2005)
Silvina C. Pellegrinet, María A. Silva, Jonathan M. Goodman
A promising enantioselective Diels-Alder dienophile by computer-assisted rational design: 2, 5-diphenyl-1-vinyl-borolane. J. Comput. Aided Mol. Des. 18 (3) (2004)
Nikhil Nair, Jonathan M. Goodman
Genetic Algorithms in Conformational Analysis. J. Chem. Inf. Comput. Sci. 38 (2) (1998)
Jonathan M. Goodman
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?. J. Chem. Inf. Comput. Sci. 37 (5) (1997)