Jonathan M. Goodman

According to our database, Jonathan M. Goodman authored at least 23 papers between 1992 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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

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

2023

Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.

Jonathan Lam, Richard J. Lewis, Jonathan M. Goodman

J. Cheminformatics, December, 2023

CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.

Ching Ching Lam, Jonathan M. Goodman

J. Chem. Inf. Model., July, 2023

2021

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

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

International chemical identifier for reactions (RInChI).

Guenter Grethe, Gerd Blanke, Hans Kraut, Jonathan M. Goodman

J. Cheminformatics, 2018

2017

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

2013

International chemical identifier for chemical reactions.

Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen

J. Cheminformatics, 2013

International chemical identifier for reactions (RInChI).

Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen

J. Cheminformatics, 2013

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

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

Computer Software Review: Reaxys.

Jonathan M. Goodman

J. Chem. Inf. Model., 2009

2008

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

2007

Exploration of the Accessible Chemical Space of Acyclic Alkanes.

Robert S. Paton, Jonathan M. Goodman

J. Chem. Inf. Model., 2007

Computational assessment of synthetic procedures.

Jonathan M. Goodman, Ingrid M. Socorro

J. Comput. Aided Mol. Des., 2007

2006

The ROBIA Program for Predicting Organic Reactivity.

Ingrid M. Socorro, Jonathan M. Goodman

J. Chem. Inf. Model., 2006

Solvent Effects and Conformational Stability of a Tripeptide.

Maxim V. Fedorov, Stephan Schumm, Jonathan M. Goodman

Proceedings of the Computational Life Sciences II, 2006

2005

What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?.

K. M. Nalin de Silva, Jonathan M. Goodman

J. Chem. Inf. Model., 2005

2004

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

1998

Genetic Algorithms in Conformational Analysis.

Nikhil Nair, Jonathan M. Goodman

J. Chem. Inf. Comput. Sci., 1998

1997

What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?.

Jonathan M. Goodman

J. Chem. Inf. Comput. Sci., 1997

1992

Ligand atom partial charges assignment for complementary electrostatic potentials.

S. L. Chan, P.-L. Chau, Jonathan M. Goodman

J. Comput. Aided Mol. Des., 1992