Patent Document ID: 20120119080
Application ID: 13297584
Patent Flag: 0

Claim One:
1. A method for establishing an unbiased model using the metabolic profile and phenotypic profile of at least two groups of plants, said method comprising: a) characterizing the phenotypic profiles of said at least two groups of plants, wherein said at least two groups of plants have different phenotypes, or wherein said at least two groups of plants are grown under different environmental conditions; b) extracting metabolites from said at least two groups of plants; c) separating said metabolites by chromatography to generate a first set of data; d) detecting the mass-to-charge fragments produced by said metabolites using mass spectrometry to generate a second set of data; e) pre-processing said first set of data and said second set of data to align, reduce noise and dimensionality, and normalize; f) using the pre-processed data of step (e) to build a partial least squares multivariate calibration to predict quantitative outcomes; g) using validation or cross-validation to select latent variables; and, h) providing an output to a user of said unbiased model.