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. Author manuscript; available in PMC: 2020 Sep 3.
Published in final edited form as: Anal Chem. 2019 Aug 15;91(17):11297–11305. doi: 10.1021/acs.analchem.9b02377

Figure 2. Workflow for the Simplify Approach.

Figure 2.

A known active compound is quantified in each complex mixture. An activity index (equation 1) is calculated by comparing the predicted and actual activity for each fraction. Fractions with activity indices greater than 110 are prioritized for follow up testing. Activity indices are used in SR modeling to predict constituents act additively or synergistically, which are subsequently isolated to confirm activity.