Patent ID: 11948662
Assignee: THE REGENTS OF THE UNIVERSITY OF CALIFORNIA
Field: Measurement (Instruments)
Classification: CPC G  Y | IPC G

Claim 16:
17. A method for determining metabolite-gene associations, comprising:
receiving and storing liquid chromatography mass spectrometry (LCMS) data obtained from a sample comprising a plurality of metabolites of an organism in a database;
determining one or more of a metabolite score, a homology score, a reciprocal agreement score, and an aggregate score for each of a plurality of metabolite-reaction-gene associations based on the LCMS data;
performing an analysis of one or more of the metabolite score, the homology score, the reciprocal agreement score, and the aggregate score to determine an association between at least one metabolite of the plurality of metabolites of the organism and a gene of a plurality of genes of the organism;
generating at least one experiment design of a high-throughput biochemical experiment based on the at least one metabolite of the plurality of metabolites of the organism and the gene of the plurality of genes of the organism;
performing the high-throughput biochemical experiment using one or more laboratory instruments comprising a microfluidics device and a mass spectrometer to validate the association between the at least one metabolite of the plurality of metabolites of the organism and the gene of the plurality of genes of the organism; and
updating the database with results from the high-throughput biochemical experiment, the updating comprising supplementing or replacing existing annotations in the database with new reactions and reference sequences to reactions.