Please find a tentative agenda for the Chemometrics for the Pharmaceutical Scientist advanced training course, scheduled for March 16-19, 2015, at the University of Maryland School of Pharmacy below.

The course will use lectures, tutorials and guided computer exercises to achieve the course objectives. The lectures will give an outline of the topic and relevant background information. In the tutorial sessions, a step-by-step demonstration of the software will be shown. The participant will learn how to perform and evaluate each step in chemometric model development and validation. During the guided computer exercises, participants will also be given a dataset to practice what they have learned in model development and validation.

NOTE: The schedule may change as circumstances dictate.

Monday, March 16:

TimeTopicActivity Type
8:30-9:00 a.m. Continental Breakfast N/A
9:00-9:30 a.m. Introduction to Chemometrics and Multivariate Data Analysis
Speaker: Ahmed Ibrahim, PhD		 Lecture
9:30-10:20 a.m. The Role of Chemometrics in Quality by Design (QbD)
Speaker: Moheb Nasr, PhD		 Lecture
10:20-10:40 a.m. Break N/A
10:40-11:30 a.m. Basics of Regression Methods, Classical and Inverse Models
Speaker: Ahmed Ibrahim, PhD

  • Mathematical background
  • Cross validation
  • Prediction and diagnostics
  • Limitations
  • Augmenting CLS
 Lecture
11:30-12:00 p.m. Software Introduction
Speaker: Brad Swarbrick

  • Software overview
  • Key feature for model building and diagnostics
 Software Demonstration
12:00-1:00 p.m. Lunch (Provided) N/A
1:00-1:50 p.m. PCA Analysis: Introduction
Speaker: Ahmed Ibrahim PhD

  • Geometric representation
  • Data preprocessing
  • Model building
  • Model interpretation
 Lecture
1:50-2:40 p.m. PCA Model Building and Diagnostics
Facilitators: Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • Model and variable diagnostics
  • Cross validation methods
  • How many PCs to keep
  • Hotelling’s T2 and other model statistics
 Hands-On Tutorial
2:40-3:00 p.m. Break N/A
3:00-4:30 p.m. PCA Model Building
Facilitators: Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • PCA case study API, excipient and product identification
 Guided Computer Exercises
4:30-5:00 p.m. Wrap-Up Discussion Group Discussion
5:00-7:00 p.m. Reception

  • Mingle and get acquainted with instructors and fellow classmates
  • A ride to the hotels and parking will be provided
 N/A

Tuesday, March 17:

TimeTopicActivity Type
8:30-9:00 a.m. Continental Breakfast N/A
9:00-9:50 a.m. PLS Introduction
Speaker: Ahmed Ibrahim, PhD

  • Geometric representation
  • Data preprocessing
  • Multiple Linear Regression (MLR)
  • Properties of PLS vectors
  • Prediction by PLS
 Lecture
9:50-10:40 a.m. PLS Modeling Building and Diagnostics
Facilitators: Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • Variable diagnostics
  • Choosing the number of PCs
  • Cross validation
 Hands-On Tutorial
10:40-11:00 a.m. Break N/A
11:00-12:00 p.m. PLS Model Building
Facilitators: Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • PLS case study API concentration and moisture endpoint determination
 Guided Computer Exercises
12:00-1:00 p.m. Lunch (Provided) N/A
1:00-2:50 p.m. Chemometric Modeling for Pharmaceutical Unit Operations
Speaker: Steve Hoag, PhD

  • Practical aspects of chemical properties determination
  • Practical aspects of Physical properties determination
 Lecture
2:50-3:10 p.m. Break N/A
3:10-5:00 p.m. Pharmacutical Chemometric Model Development
Facilitators: Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • Blending uniformity
  • Coating
  • Dissolution profile prediction
 Guided Computer Exercises

Wednesday, March 18:

TimeTopicActivity Type
8:30-9:00 a.m. Continental Breakfast N/A
9:00-9:45 a.m. Introduction to NIR
Speaker: Gary Ritchie, MS

  • Vibration spectroscopy
  • NIR basics
 Lecture
9:45-10:30 a.m. NIR Instrumentation
Speaker: Denise Root

  • Insrumentation design
 Lecture
10:30-10:45 a.m. Break N/A
10:45-11:30 a.m. Introduction to Raman Spectroscopy
Speaker: Katherine Bakeev, PhD

  • Elastic Scattering phenomena
  • Raman spectroscopy
 Lecture
11:30-12:15 p.m. Basics and Instrumentation
Speaker: Katherine Bakeev, PhD		 Lecture
12:10-1:00 p.m. Lunch (Provided) N/A
1:00 2:30 p.m. Raman Excipient ID/NIR in Process Measrument Demonstrations
Group Leaders: Denise Root and Katherine Bakeev

  • 1:00-1:45 p.m.
    • Group 1: Raman Demonstration
    • Group 2: NIR Demonstation
  • 1:45-2:30 p.m.
    • Group 2: Raman Demonstration
    • Group 1: NIR Demonstation
 Hands-On Demonstration
2:30-2:45 p.m. Break N/A
2:45-3:15 p.m. NIR Method Validation
Speaker: Gary Ritchie, MS

  • Method validation
  • USP /ASTM E1655
  • Sample selection
  • Sample pre-treatment
  • Model development
  • Calibration transfer
 Lecture
3:15-4:45 p.m NIR Method Validation
Facilitator: Gary Ritchie, Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • Method development
  • Build calibration model
  • Validation
  • Calibration transfer
 Hands-On Tutorial
4:45 – 5:30 p.m. NIR Calibration Transfer (Optional Special Session)
Facilitator: Gary Ritchie, Ahmed Ibrahim, Steve Hoag, and Brad Swarbrick

  • Method development
  • Build calibration model
  • Validation
  • Calibration transfer
 Guided Computer Exercises

Thursday, March 19:

TimeTopicActivity Type
8:30-9:00 a.m. Continental Breakfast N/A
9:00-9:50 a.m. Multivariate Statistical Process Control
Speaker: Christian Airiau, PhD

  • Intro to MVSPC
  • Control charts
 Lecture
9:50-10:40 a.m. Industrial Application of Multivariate Models
Speaker: Christian Airiau, PhD

  • Case studies in MVSPC
 Lecture
10:40 -11:10 a.m. Break N/A
10:10-11:00 a.m. Chemometric Model Maintenance
Speaker: Ahmed Ibrahim, PhD

  • Instrument standardization
  • Updating methods
 Lecture
11:00-12:00 p.m. Chemometric Models: A Regulatory Perspective
Speaker: Steve Hoag, PhD		 Lecture
12:00-1:00 p.m. Lunch (Provided) N/A
1:00-1:50 p.m. Applications in PAT
Speaker: Brad Swarbrick		 Lecture
2:00-3:00 p.m. Course Wrap-Up and Q&A N/A