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Jonathan M. Goodman
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2020 – today
- 2024
- [j22]Martin Priessner, Richard J. Lewis
, Magnus J. Johansson
HSQC Spectra Simulation and Matching for Molecular Identification. J. Chem. Inf. Model. 64(8): 3180-3191 (2024) - [j21]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): 4286-4297 (2024) - 2023
- [j20]Jonathan Lam, Richard J. Lewis
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence. J. Cheminformatics 15(1): 36 (2023) - [j19]Ching Ching Lam
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. J. Chem. Inf. Model. 63(14): 4364-4375 (2023) - 2021
- [j18]Jonathan M. Goodman
InChI version 1.06: now more than 99.99% reliable. J. Cheminformatics 13(1): 40 (2021)
2010 – 2019
- 2018
- [j17]Guenter Grethe, Gerd Blanke, Hans Kraut, Jonathan M. Goodman
International chemical identifier for reactions (RInChI). J. Cheminformatics 10(1): 22:1-22:9 (2018) - [j16]Timothy E. H. Allen
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors. J. Chem. Inf. Model. 58(6): 1266-1271 (2018) - 2017
- [j15]Philipp-Maximilian Jacob
A possible extension to the RInChI as a means of providing machine readable process data. J. Cheminformatics 9(1): 23:1-23:12 (2017) - 2013
- [j14]Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen:
International chemical identifier for chemical reactions. J. Cheminformatics 5(S-1): 16 (2013) - [j13]Guenter Grethe, Jonathan M. Goodman
International chemical identifier for reactions (RInChI). J. Cheminformatics 5: 45 (2013)
2000 – 2009
- 2009
- [j12]Anton J. Hopfinger, Emilio Xavier Esposito
Findings of the Challenge To Predict Aqueous Solubility. J. Chem. Inf. Model. 49(1): 1-5 (2009) - [j11]Robert S. Paton
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): 944-955 (2009) - [j10]Jonathan M. Goodman
Computer Software Review: Reaxys. J. Chem. Inf. Model. 49(12): 2897-2898 (2009) - 2008
- [j9]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): 1289-1303 (2008) - 2007
- [j8]Jonathan M. Goodman
Computational assessment of synthetic procedures. J. Comput. Aided Mol. Des. 21(6): 351-357 (2007) - [j7]Robert S. Paton
Exploration of the Accessible Chemical Space of Acyclic Alkanes. J. Chem. Inf. Model. 47(6): 2124-2132 (2007) - 2006
- [j6]Ingrid M. Socorro, Jonathan M. Goodman
The ROBIA Program for Predicting Organic Reactivity. J. Chem. Inf. Model. 46(2): 606-614 (2006) - [c1]Maxim V. Fedorov, Stephan Schumm, Jonathan M. Goodman
Solvent Effects and Conformational Stability of a Tripeptide. CompLife 2006: 141-149 - 2005
- [j5]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): 81-87 (2005) - 2004
- [j4]Silvina C. Pellegrinet
A promising enantioselective Diels-Alder dienophile by computer-assisted rational design: 2, 5-diphenyl-1-vinyl-borolane. J. Comput. Aided Mol. Des. 18(3): 209-214 (2004)
1990 – 1999
- 1998
- [j3]Nikhil Nair, Jonathan M. Goodman:
Genetic Algorithms in Conformational Analysis. J. Chem. Inf. Comput. Sci. 38(2): 317-320 (1998) - 1997
- [j2]Jonathan M. Goodman
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?. J. Chem. Inf. Comput. Sci. 37(5): 876-878 (1997) - 1992
- [j1]S. L. Chan, P.-L. Chau, Jonathan M. Goodman
Ligand atom partial charges assignment for complementary electrostatic potentials. J. Comput. Aided Mol. Des. 6(5): 461-474 (1992)
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