This paper describes the specific efforts that have been made to use multivariate statistics to study possible chemical equilibrium in metabolite production in the Asteraceae family. A large database containing approximately 45000 occurrences of secondary metabolites was subjected to multivariate analysis and the results strongly suggest equilibrium in the production of compounds at the level of primary precursors. A sample comprising the whole family classified according to the most updated division was used to inspect the equilibrium of different chemical classes. Multiple linear regression (MLR) was validated using the “leave-one-out” method and Q2 external tests. A few comparisons were made between the results of MLR and partial least squares (PLS).
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