Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations.
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DOI: 10.1021/jacs.2c00813
Abstract: Using NMR data, the assignment of the correct 3D configuration and conformation to unknown natural products is of pivotal importance in pharmaceutical and medicinal chemistry. In this report, we quantify the quality and probability of… read more here.
Keywords: bayesian inference; floating chirality; geometry; chirality distance ... See more keywords