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〈1039〉 Chemometrics

BRIEFING

〈1039〉 Chemometrics. This proposal is based on the version of the chapter official as of May 1, 2020. The General Chapters—Measurement and Data Quality Expert Committee is proposing the following revised chapter. On the basis of comments received from stakeholders, major updates have been made to each section of the current official chapter, reflecting the input received to enhance the chapter's accuracy, clarity, and relevance due to chemometrics evolving quickly as a discipline. Machine learning and artificial intelligence, which have developed exponentially, have been at the basis of the evolution of chemometrics, thus necessitating a major revision of this chapter.

 More specifically, the following changes have been made:

  1. The 1. Introduction has been edited to reflect the objectives and applications of the discipline.

  2. Section 2. What is Chemometrics?, has been fully reviewed, reflecting the general overview of the different statistical techniques for modeling, based on three sections, namely 1) unsupervised learning (2.3 Unsupervised Methods), 2) supervised learning with categorical data, and 3) supervised learning with continuous data (2.4 Supervised Methods). Also, a new section describing the types of data structures and the difference of preprocessing methods has been added (2.1.3 Data Structures and 2.2 Signal Processing).

  3. Section 3. Model Life Cycle has been adapted to be in line with the concept of model life cycle.

  4. Section 4. Applications of Chemometrics has been updated, reflecting the applications of chemometrics in the pharmaceutical industry.

 All sections have been reviewed to avoid repetitions of concepts.

 Additionally, minor editorial changes have been made to update the chapter to current USP style.

 (GCMDQ: Y. Liu)

 Case ID—SUB-987

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