1 / 11

Chemometric Working Group

Chemometric Working Group. Recommendations and Summary of Discussion. Introduction to Justify Paradigm Shift. DOE. Reactor. Data Evaluation. Analyze. Preprocessing Calibration Diagnostics. Experimental Design (DOE). Prediction Validation.

taini
Download Presentation

Chemometric Working Group

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Chemometric Working Group Recommendations and Summary of Discussion

  2. Introduction to Justify Paradigm Shift DOE Reactor Data Evaluation Analyze Preprocessing Calibration Diagnostics Experimental Design (DOE) Prediction Validation

  3. The role of chemometrics in the application of PAT • Application of sound mathematical and statistical tools requiring chemical knowledge. • Implies that the chemist understands the statistics, rather than the statistician trying to understand the chemistry

  4. Role of Chemometrics in PAT Modeling - deterministic Identifying and deriving the state of the process Monitoring Calibration Supporting the use of process analyzers and sensors Controls Actively manipulating the process to maintain or obtain a desired condition **Diagnostics (essential part of each of the above) instrument chemometrics to evaluate the process feed forward

  5. Chemometric tools needed for the use of PAT • Preprocessing • Regression tools • Classification / Discrimination • Outlier detection • Homogeneity checking • DOE • Data visualization • Terminology

  6. 1. Adequate measurements 2. Representative samples 3. Adequate analysis 4 Adequate data management 5. Validation 6. Standard (reference) sample 7. Auto-diagnosis Knowledge, experiments Knowledge, DOE Clarity, “Reproducibility” Pilot, production What is needed for successful PAT / Chemometrics

  7. What is needed todevelop, validate, and maintain chemometric based PAT • QUALITY DATA - Need reference samples (as a result of DOE) - Data from routine production - Data from faults

  8. Currently accepted tools in Industry • Reference ASTM E1655 – 00 • On going initiatives - COLI Chemometric on-line initiative (CPAC) - EMEA/CVMP/CPMP - PASG

  9. Initial and on-going validation • DOE leads to representative data • Measurement is adequate • Process is OK • Sampling is OK • Algorithm is OK • Model validation • All measurements can be made in predictive mode

  10. Q8 Training approaches • On-going conferences, symposium, workshops, etc., for chemometrics • FDA have chemometrics short course that is case study based in-house and field. • Direct involvement with consortium and participating in focus groups • COLI - Chemometric on-line initiative • Industry perspective on background and training for person doing chemometrics

  11. Recommendations • General exemption from reporting PAT data to the batch records collected for the purposes of investigating new technologies • A recommendation is that guidance to evolve from simple model to a complex model; that is chemometrics as a tool for the FDA reviewer should be explained as what it’s role is the guidance • Audit function versus review function

More Related