ALEXANDRIA, Va., June 19 -- United States Patent no. 12,334,194, issued on June 17, was assigned to The University of Chicago (Chicago).
"Deep imitation learning for molecular inverse problems" was invented by Eric Jonas (Chicago).
According to the abstract* released by the U.S. Patent & Trademark Office: "A method of determining a molecular structure of a compound includes obtaining a known molecular formula of the compound based on at least one of an observed spectrum and stoichiometric calculations. Edges that meet per-vertex constraints of the molecular formula are determined, and a plurality of candidate structures is generated based on the determined edges. The plurality of candidate structures are evaluated, and one candidate struc...