The revised general chapter Chemometric methods applied to analytical data (5.21) has been published in this quarter’s issue of Pharmeuropa (33.3), the European Pharmacopoeia (Ph. Eur.) online forum, for comment.
This general chapter, published for information, is an introduction to the use of chemometrics and data science techniques. The objective is to provide indications on good practice and requirements for the processing of analytical data.
This general chapter was first published in 2015 (Supplement 8.7) and continuous evolution in data science techniques since then has prompted its revision. Indeed, data analysis is an extremely dynamic field which has led to numerous changes in the way algorithms are referenced and applied.
In view of the latest developments, numerous sections of the chapter have been completely rewritten or updated and new sections/sub-sections have been introduced. This general revision includes:
- an update of section 1. General aspects with a review of parts on Pre-processing (184.108.40.206) and Assessment and validation of chemometric methods (1.3);
- two new sub-sections on Independent component analysis (2.2) and Decision trees and random forests (2.6);
- a general review of sub-sections on Similarity measures (2.3), Clustering (2.5), Multiple linear regression (2.8), Principal component regression (2.9), Support vector machines for supervised classification (2.11) and Artificial neural networks (2.12);
- a new section, 3. Related application fields, including sub-sections on Chemometrics in chemical imaging (3.1), and Data fusion (3.2);
- an update of the Glossary and the Abbreviations.
The deadline for comments is 30 September 2021.
Comments from within the member states are to be sent to the responsible national pharmacopoeial authority; comments from countries outside the Ph. Eur. convention or from industry associations may be sent to the European Directorate for the Quality of Medicines & HealthCare (EDQM) via the EDQM HelpDesk.
For more information on how to comment, please consult our guide.