Spectroscopy is widely used to characterize pharmaceutical products or processes, especially due to its desirable characteristics of being rapid, cheap, non-invasive/non-destructive and applicable both off-line and in-/at-/on-line. Spectroscopic techniques produce profiles containing a high amount of information, which can profitably be exploited through the use of multivariate mathematic and statistic (chemometric) techniques. The present paper aims at providing a brief overview of the different chemometric approaches applicable in the context of spectroscopy-based pharmaceutical analysis, discussing both the unsupervised exploration of the collected data and the possibility of building predictive models for both quantitative (calibration) and qualitative (classification) responses. © 2018 Biancolillo and Marini.

Chemometric methods for spectroscopy-based pharmaceutical analysis / Biancolillo, Alessandra; Marini, Federico. - In: FRONTIERS IN CHEMISTRY. - ISSN 2296-2646. - 6:nov(2018). [10.3389/fchem.2018.00576]

Chemometric methods for spectroscopy-based pharmaceutical analysis

Biancolillo, Alessandra;Marini, Federico
2018

Abstract

Spectroscopy is widely used to characterize pharmaceutical products or processes, especially due to its desirable characteristics of being rapid, cheap, non-invasive/non-destructive and applicable both off-line and in-/at-/on-line. Spectroscopic techniques produce profiles containing a high amount of information, which can profitably be exploited through the use of multivariate mathematic and statistic (chemometric) techniques. The present paper aims at providing a brief overview of the different chemometric approaches applicable in the context of spectroscopy-based pharmaceutical analysis, discussing both the unsupervised exploration of the collected data and the possibility of building predictive models for both quantitative (calibration) and qualitative (classification) responses. © 2018 Biancolillo and Marini.
2018
chemometrics and statistics; classification; component analysis (PCA); partial least squares (PLS); partial least squares discriminant analysis (PLS-DA); pharmaceutical quality control; soft independent modeling of class analogies (SIMCA); spectroscopy
01 Pubblicazione su rivista::01g Articolo di rassegna (Review)
Chemometric methods for spectroscopy-based pharmaceutical analysis / Biancolillo, Alessandra; Marini, Federico. - In: FRONTIERS IN CHEMISTRY. - ISSN 2296-2646. - 6:nov(2018). [10.3389/fchem.2018.00576]
File allegati a questo prodotto
File Dimensione Formato  
Biancolillo_Chemometric_2018.pdf

accesso aperto

Note: https://www.frontiersin.org/articles/10.3389/fchem.2018.00576/full#h9
Tipologia: Versione editoriale (versione pubblicata con il layout dell'editore)
Licenza: Creative commons
Dimensione 1.96 MB
Formato Adobe PDF
1.96 MB Adobe PDF

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1269752
Citazioni
  • ???jsp.display-item.citation.pmc??? 24
  • Scopus 141
  • ???jsp.display-item.citation.isi??? 128
social impact