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componentContribution(model, trainingData)

Perform the component contribution method

INPUTS trainingData structure from prepareTrainingData with the following fields .S the stoichiometric matrix of measured reactions .G the group incidence matrix .dG0 the observation vector (standard Gibbs energy of reactions) .weights the weight vector for each reaction in S .Model2TrainingMap

OUTPUTS model structure with the following fields .DfG0 m x 1 array of component contribution estimated

standard Gibbs energies of formation.

.covf m x m estimated covariance matrix for standard

Gibbs energies of formation.

.DfG0_Uncertainty m x 1 array of uncertainty in estimated standard

Gibbs energies of formation. Will be large for metabolites that are not covered by component contributions.

.DrG0_Uncertainty n x 1 array of uncertainty in standard reaction

Gibbs energy estimates. Will be large for reactions that are not covered by component contributions.

invertProjection(A, epsilon)

invert a general matrix A using the pseudoinverse return values are:

inv_A - the pseudoinverse of A r - the rank of A P_R - the projection matrix onto the range(A) P_N - the projection matrix onto the null(A’)