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Chemical Research in Toxicology|September 8, 2016
Using Molecular Initiating Events To Generate 2D Structure-Activity Relationships for Toxicity ScreeningTimothy E H Allen, Sonia Liggi, Jonathan M Goodman, et al.Journal of Medicinal Chemistry|February 15, 2007
Diclofenac solubility: independent determination of the intrinsic solubility of three crystal formsAntonio Llinàs, Jonathan C Burley, Karl J Box, et al.Chemical Communications (Cambridge, England)|March 15, 2018
A synthesis-enabled relative stereochemical assignment of the C1-C28 region of hemicalideBing Yuan Han, Nelson Y S Lam, Callum I MacGregor, et al.Journal of Chemical Information and Modeling|May 31, 2018
Using Transition State Modeling To Predict Mutagenicity for Michael AcceptorsTimothy E H Allen, Matthew N Grayson, Jonathan M Goodman, et al.Nature Communications|January 7, 2026
Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals marketKerstin von Borries, Katie V Beckwith, Jonathan M Goodman, et al.Dalton Transactions (Cambridge, England : 2003)|May 26, 2009
Joining the crown family; the tetrameric, O-bridged macrocycle [{P(micro-N(t)Bu)}2(micro-O)]4Silvia Gonzalez Calera, Dana J Eisler, Jonathan M Goodman, et al.Journal of Chemical Information and Modeling|March 27, 2024
HSQC Spectra Simulation and Matching for Molecular IdentificationMartin Priessner, Richard J Lewis, Magnus J Johansson, et al.Angewandte Chemie (International Ed. in English)|June 4, 2019
Guest Binding via N-H⋅⋅⋅π Bonding and Kinetic Entrapment by an Inorganic MacrocycleAlex J Plajer, Felix J Rizzuto, Hao-Che Niu, et al.Environmental Science & Technology|November 1, 2023
Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity CharacterizationKerstin von Borries, Hanna Holmquist, Marissa Kosnik, et al.Journal of the American Chemical Society|December 24, 2014
The most reactive amide as a transition-state mimic for cis-trans interconversionIgor V Komarov, Stanislav Yanik, Aleksandr Yu Ishchenko, et al.Pageof 14