Abstract

This review serves to highlight the role of chemometrics and biochemometrics in recent literature as well as including a perspective on the current state of the field, as well as the future needs and possible directions. Specifically examining the analytical methods and statistical tools that are available to chemists, current applications of QTOF-MS, Orbitrap-MS, LC with PDA/UV detectors, NMR, and IMS coupled MS are detailed. Of specific interest, these techniques can be applied to botanical dietary supplement quality, efficacy, and safety. Application in natural products drug discovery, industrial quality control, experimental design, and more are also discussed.

Keywords: Chemometrics, biochemometrics, botanical dietary supplements, natural products, phytochemicals, massspectrometry.