Generalized Subset Designs in Analytical Chemistry

Analytical Chemistry
Izabella SurowiecJohan Trygg

Abstract

Design of experiments (DOE) is an established methodology in research, development, manufacturing, and production for screening, optimization, and robustness testing. Two-level fractional factorial designs remain the preferred approach due to high information content while keeping the number of experiments low. These types of designs, however, have never been extended to a generalized multilevel reduced design type that would be capable to include both qualitative and quantitative factors. In this Article we describe a novel generalized fractional factorial design. In addition, it also provides complementary and balanced subdesigns analogous to a fold-over in two-level reduced factorial designs. We demonstrate how this design type can be applied with good results in three different applications in analytical chemistry including (a) multivariate calibration using microwave resonance spectroscopy for the determination of water in tablets, (b) stability study in drug product development, and (c) representative sample selection in clinical studies. This demonstrates the potential of generalized fractional factorial designs to be applied in many other areas of analytical chemistry where representative, balanced, and complementary su...Continue Reading

References

Dec 1, 1995·Statistical Methods in Medical Research·S Wacholder
Mar 15, 2001·Drug Development and Industrial Pharmacy·B RambaliD L Massart
Aug 19, 2003·Journal of Biopharmaceutical Statistics·Yi TsongChi Wan Chen
Feb 4, 2006·Drug Development and Industrial Pharmacy·Jon GabrielssonTorbjörn Lundstedt
Mar 25, 2006·Drug Development and Industrial Pharmacy·Jon GabrielssonTorbjörn Lundstedt
Oct 2, 2014·Journal of Chromatography. a·Jessica PaulGesine Cornelissen
Mar 14, 2017·Metabolomics : Official Journal of the Metabolomic Society·Judy OrikiirizaJohan Normark

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Citations

Sep 12, 2017·Metabolomics : Official Journal of the Metabolomic Society·Izabella SurowiecJohan Trygg
Feb 5, 2021·Nature·Benjamin J ShieldsAbigail G Doyle
Sep 1, 2021·Nature Methods·Christoffer EdlundRickard Sjögren
Dec 17, 2021·ACS Applied Materials & Interfaces·Luke HuelsenbeckGaurav Giri

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