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Organic & Biomolecular Chemistry|April 6, 2016
Expanding DP4: application to drug compounds and automationKristaps Ermanis, Kevin E B Parkes, Tatiana Agback, et al.Organic & Biomolecular Chemistry|June 1, 2019
The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidationKristaps Ermanis, Kevin E B Parkes, Tatiana Agback, et al.Organic & Biomolecular Chemistry|July 6, 2010
Synthetic and computational studies on the tricarboxylate core of 6,7-dideoxysqualestatin H5 involving a carbonyl ylide cycloaddition-rearrangementDavid M Hodgson, Carolina Villalonga-Barber, Jonathan M Goodman, et al.Journal of Cheminformatics|May 25, 2021
InChI version 1.06: now more than 99.99% reliableJonathan M Goodman, Igor Pletnev, Paul Thiessen, et al.Toxicological Sciences : an Official Journal of the Society of Toxicology|July 19, 2018
Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating EventsTimothy E H Allen, Jonathan M Goodman, Steve Gutsell, et al.Chemical Research in Toxicology|October 30, 2014
Defining molecular initiating events in the adverse outcome pathway framework for risk assessmentTimothy E H Allen, Jonathan M Goodman, Steve Gutsell, et al.Chemical Research in Toxicology|December 20, 2016
A History of the Molecular Initiating EventTimothy E H Allen, Jonathan M Goodman, Steve Gutsell, et al.Chemical Research in Toxicology|September 14, 2019
Quantitative Predictions for Molecular Initiating Events Using Three-Dimensional Quantitative Structure-Activity RelationshipsTimothy E H Allen, Jonathan M Goodman, Steve Gutsell, et al.The Journal of Organic Chemistry|May 13, 2008
Stereostructure assignment of flexible five-membered rings by GIAO 13C NMR calculations: prediction of the stereochemistry of elatenyneSteven G Smith, Robert S Paton, Jonathan W Burton, et al.The Journal of Physical Chemistry. A|March 14, 2023
Quantitative <i>In Silico</i> Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided AlgorithmDaniel S Wigh, Matthieu Tissot, Patrick Pasau, et al.Pageof 12