Jonathan M. Goodman

23 papers Journal 22Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
HSQC Spectra Simulation and Matching for Molecular Identification.
J. Chem. Inf. Model.
Martin Priessner, Richard J. Lewis, Magnus J. Johansson, Jonathan M. Goodman, Jon Paul Janet, Anna Tomberg
2024 J jnl
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity.
J. Chem. Inf. Model.
Ruslan Kotlyarov, Konstantinos Papachristos, Geoffrey P. F. Wood, Jonathan M. Goodman
2023 J jnl
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.
J. Chem. Inf. Model.
Ching Ching Lam, Jonathan M. Goodman
2023 J jnl
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J. Cheminformatics
Jonathan Lam, Richard J. Lewis, Jonathan M. Goodman
2021 J jnl
InChI version 1.06: now more than 99.99% reliable.
J. Cheminformatics
Jonathan M. Goodman, Igor V. Pletnev, Paul A. Thiessen, Evan Bolton, Stephen R. Heller
2018 J jnl
International chemical identifier for reactions (RInChI).
J. Cheminformatics
Guenter Grethe, Gerd Blanke, Hans Kraut, Jonathan M. Goodman
2018 J jnl
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors.
J. Chem. Inf. Model.
Timothy E. H. Allen, Matthew N. Grayson, Jonathan M. Goodman, Steve Gutsell, Paul J. Russell
2017 J jnl
A possible extension to the RInChI as a means of providing machine readable process data.
J. Cheminformatics
Philipp-Maximilian Jacob, Tian Lan, Jonathan M. Goodman, Alexei A. Lapkin
2013 J jnl
International chemical identifier for chemical reactions.
J. Cheminformatics
Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen
2013 J jnl
International chemical identifier for reactions (RInChI).
J. Cheminformatics
Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen
2009 J jnl
Computer Software Review: Reaxys.
J. Chem. Inf. Model.
Jonathan M. Goodman
2009 J jnl
Findings of the Challenge To Predict Aqueous Solubility.
J. Chem. Inf. Model.
Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman
2009 J jnl
Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions.
J. Chem. Inf. Model.
Robert S. Paton, Jonathan M. Goodman
2008 J jnl
Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?
J. Chem. Inf. Model.
Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman
2007 J jnl
Computational assessment of synthetic procedures.
J. Comput. Aided Mol. Des.
Jonathan M. Goodman, Ingrid M. Socorro
2007 J jnl
Exploration of the Accessible Chemical Space of Acyclic Alkanes.
J. Chem. Inf. Model.
Robert S. Paton, Jonathan M. Goodman
2006 — conf
Solvent Effects and Conformational Stability of a Tripeptide.
CompLife
Maxim V. Fedorov, Stephan Schumm, Jonathan M. Goodman
2006 J jnl
The ROBIA Program for Predicting Organic Reactivity.
J. Chem. Inf. Model.
Ingrid M. Socorro, Jonathan M. Goodman
2005 J jnl
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?.
J. Chem. Inf. Model.
K. M. Nalin de Silva, Jonathan M. Goodman
2004 J jnl
A promising enantioselective Diels-Alder dienophile by computer-assisted rational design: 2, 5-diphenyl-1-vinyl-borolane.
J. Comput. Aided Mol. Des.
Silvina C. Pellegrinet, María A. Silva, Jonathan M. Goodman
1998 J jnl
Genetic Algorithms in Conformational Analysis.
J. Chem. Inf. Comput. Sci.
Nikhil Nair, Jonathan M. Goodman
1997 J jnl
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?.
J. Chem. Inf. Comput. Sci.
Jonathan M. Goodman
1992 J jnl
Ligand atom partial charges assignment for complementary electrostatic potentials.
J. Comput. Aided Mol. Des.
S. L. Chan, P.-L. Chau, Jonathan M. Goodman