Chemometrics is the science of extracting information from chemical systems by data-driven methods. The information from data is extracted by using multivariate statistics, applied mathematics, and computer science. After the application of multivariate data analysis qualitative and quantitative information can be obtained from the data provided. Some of the most commonly employed linear algorithms in a multivariate data analysis include principal component analysis (PCA), partial least square regression (PLS), principal component regression (PCR), and multiple linear regression (MLR).
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· Claßen, J., Graf, A., Aupert, F., Solle, D., Höhse, M., Scheper, T., 2019. A novel LED-based 2D-fluorescence spectroscopy system for in-line bioprocess monitoring of Chinese hamster ovary cell cultivations-Part II. Eng Life Sci 19, 341–351. https://doi.org/10.1002/elsc.201800146
· Ferro, L., Gojkovic, Z., Gorzsas, A., Funk, C., 2019. Statistical Methods for Rapid Quantification of Proteins, Lipids, and Carbohydrates in Nordic Microalgal Species Using ATR-FTIR Spectroscopy. Molecules 24. https://doi.org/10.3390/molecules24183237
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· Sá, M., Ramos, A., Monte, J., Brazinha, C., Galinha, C.F., Crespo, J.G., 2020b. Development of a monitoring tool based on fluorescence and climatic data for pigments profile estimation in Dunaliella salina. J Appl Phycol 32, 363–373. https://doi.org/10.1007/s10811-019-01999-z
· Sandor, M., Rüdinger, F., Bienert, R., Grimm, C., Solle, D., Scheper, T., 2013. Comparative study of non-invasive monitoring via infrared spectroscopy for mammalian cell cultivations. J Biotechnol 168, 636–645. https://doi.org/10.1016/j.jbiotec.2013.08.002
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· Solle, D., Hitzmann, B., Herwig, C., Pereira Remelhe, M., Ulonska, S., Wuerth, L., Prata, A., Steckenreiter, T., 2017. Between the poles of data-driven and mechanistic modeling for process operation. Chemie Ingenieur Technik 89, 542–561. https://doi.org/10.1002/cite.201600175
Institute of Technical Chemistry
Leibniz University of Hannover
Callinstraße 5
30167 Hannover, Germany
Tel.: + 49 511 762 17515
Fax: + 49 511 762 3004
Email: solle@iftc.-uni-hannover.de
