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Chemical Science|March 20, 2026
DP5 without DFT: uncertainty-calibrated graph neural net accelerates structure confirmation via NMRRuslan Kotlyarov, Alexander Howarth, Jonathan M GoodmanJournal of Chemical Information and Modeling|May 6, 2024
Leveraging Language Model Multitasking To Predict C-H Borylation SelectivityRuslan Kotlyarov, Konstantinos Papachristos, Geoffrey P F Wood, et al.Chemical Science|April 18, 2022
The DP5 probability, quantification and visualisation of structural uncertainty in single moleculesAlexander Howarth, Jonathan M GoodmanChemical Science|June 14, 2021
DP4-AI automated NMR data analysis: straight from spectrometer to structureAlexander Howarth, Kristaps Ermanis, Jonathan M GoodmanOrganic & Biomolecular Chemistry|November 10, 2004
Chemistry on the world-wide-web: a ten year experimentJonathan M GoodmanThe Journal of Organic Chemistry|December 31, 2009
DFT study on the factors determining the enantioselectivity of Friedel-Crafts reactions of indole with N-acyl and N-tosylimines catalyzed by BINOL-phosphoric acid derivativesLuis Simón, Jonathan M GoodmanOrganic & Biomolecular Chemistry|January 26, 2012
Hydrogen-bond stabilization in oxyanion holes: grand jeté to three dimensionsLuis Simón, Jonathan M GoodmanDrug Discovery Today|March 18, 2008
Polymorph control: past, present and futureAntonio Llinàs, Jonathan M GoodmanJournal of the American Chemical Society|September 13, 2012
Mechanism of amination of β-keto esters by azadicarboxylates catalyzed by an axially chiral guanidine: acyclic keto esters react through an E enolateLuis Simón, Jonathan M GoodmanThe Journal of Organic Chemistry|November 14, 2007
The mechanism of TBD-catalyzed ring-opening polymerization of cyclic estersLuis Simón, Jonathan M GoodmanPageof 12