Jonathan M. Goodman

Orcid: 0000-0002-8693-9136

According to our database1, Jonathan M. Goodman authored at least 23 papers between 1992 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
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PhD thesis 
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Links

On csauthors.net:

Bibliography

2024
HSQC Spectra Simulation and Matching for Molecular Identification.
J. Chem. Inf. Model., 2024

Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity.
J. Chem. Inf. Model., 2024

2023
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J. Cheminformatics, December, 2023

CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.
J. Chem. Inf. Model., July, 2023

2021
InChI version 1.06: now more than 99.99% reliable.
J. Cheminformatics, 2021

2018
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors.
J. Chem. Inf. Model., 2018

International chemical identifier for reactions (RInChI).
J. Cheminformatics, 2018

2017
A possible extension to the RInChI as a means of providing machine readable process data.
J. Cheminformatics, 2017

2013
International chemical identifier for chemical reactions.
J. Cheminformatics, 2013

International chemical identifier for reactions (RInChI).
J. Cheminformatics, 2013

2009
Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions.
J. Chem. Inf. Model., 2009

Findings of the Challenge To Predict Aqueous Solubility.
J. Chem. Inf. Model., 2009

Computer Software Review: Reaxys.
J. Chem. Inf. Model., 2009

2008
Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?
J. Chem. Inf. Model., 2008

2007
Exploration of the Accessible Chemical Space of Acyclic Alkanes.
J. Chem. Inf. Model., 2007

Computational assessment of synthetic procedures.
J. Comput. Aided Mol. Des., 2007

2006
The ROBIA Program for Predicting Organic Reactivity.
J. Chem. Inf. Model., 2006

Solvent Effects and Conformational Stability of a Tripeptide.
Proceedings of the Computational Life Sciences II, 2006

2005
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?.
J. Chem. Inf. Model., 2005

2004
A promising enantioselective Diels-Alder dienophile by computer-assisted rational design: 2, 5-diphenyl-1-vinyl-borolane.
J. Comput. Aided Mol. Des., 2004

1998
Genetic Algorithms in Conformational Analysis.
J. Chem. Inf. Comput. Sci., 1998

1997
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?.
J. Chem. Inf. Comput. Sci., 1997

1992
Ligand atom partial charges assignment for complementary electrostatic potentials.
J. Comput. Aided Mol. Des., 1992


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