Bayesian probabilistic assignment of chemical shifts in organic solids

Authors: Manuel Cordova, Martins Balodis, Bruno Simões de Almeida, Michele Ceriotti, Lyndon Emsley

Published: 2021-11-26

DOI: 10.1126/sciadv.abk2341

Source: Full article

---

Abstract

Machine-learned chemical shifts enable probabilistic assignment in organic solids without knowledge of the structure.