New Winds in Chemometrics: Theory and Application

Dear Colleagues,

In modern analytical chemistry, chemometrics has become the leading methodology for the experimental data analysis. Its application ranges mainly from chromatographic to spectroscopic techniques but could be applied to any source of analytical data.

Chemometrics was born between 1970 and 1980, but its applications seem to find no boundaries: in addition to the primordial extraction and interpretation of data, we have moved to the resolution of data from image elaborations to the use of hyphenated data from different instrumental platforms to new developments in the machine learning and artificial intelligence (AI).

In particular, innovations in AI can involve large masses of data that include millions of samples and data matrices that can only be processed by chemometric tools to select those useful in the experimental domain and use them for data modeling and to describe or predict the systems under study. Furthermore, only a few years ago, chemometric methods were integrated into dedicated software packages with specific analytical methods to identify the underlying chemical information—for example, the resolution of overlapping peaks in an automated way or the use of Raman or IR imaging.

These issues focus on the “Progress of Chemometrics” both from the point of view of the research of new techniques and of the application of known techniques to new fields of investigation or new aims. In this issue, therefore, original research or reviews are welcome on the application of chemometrics to various matrices for process analysis or product characterization but also on new chemometric methods aimed at solving analytical problems in various fields of application.

Dr. Michele De Luca
Prof. Dr. Gaetano Ragno
Guest Editors

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