Short Course Listings
Short Course

Course Information
Course Title: A Hands-On Example on How to Develop a PLS Regression Model
Categories: 1 - Atomic Spectrometry-Spectroscopy
2 - Chemometrics
3 - Petroleum Analysis
4 - Spectroscopy
5 - Statistics
6 - Infrared Spectroscopy
Instructor(s): Jose Andrade Course Number: 61
Affiliation: University of A Coruna
Course Date: 03/09/2016 - Wednesday Course Length: 1/2 Day Course
Start Time: 01:00 PM End Time: 05:00 PM
Fee: $300 ($400 after 2/12/16) Textbook Fee:

Course Description
This short course aims at introducing newcomers and users with limited experience to the tasks of developing reliable multivariate Partial Least Squares (PLS) regression models. PLS models are nowadays required for quality control, and PAT in Pharma companies, food quality control, environmental studies and so forth. In this sense, some ideas on how to integrate PLS in a PAT ruled environment will be discussed. Besides, increasing use of PLS as a powerful tool for supervised pattern recognition will be explored. Users with some previous experience will benefit from the discussion of recent approaches to objectively discriminate sample groups by PLS and from a very simple approach to calculate figures-of-merit in accordance to most recent ISO and EU guidelines (decision limit, detection limit, etc., considering the alpha and beta errors). Beginners can benefit from mathematical-free explanations to get a sound view of how to develop predictive models. Since theory will be kept to a minimum, this hands-on course is recommended for those working in companies willing to consider advanced quality control tools and for those working on R&D activities. All attendees will be provided a one-month free license on a dedicated software for multivariate analysis.

Target Audience
This introductory course is intended for quality control technicians, researchers, environmentalists, scientists in the life sciences, pharmaceutical and biotech industry and analytical chemists in general. The course does also fit some aspects of current industrial PAT trends; mainly those related to multivariate data analysis and knowledge extraction.

Course Outline
1. Why PLS?
2. How to organize data and how to pre process data for analysis
3. Estimating the number of factors to use
4. Testing for outlier detection
5. Calibrating with PLS
6. Discriminant PLS
7. Extracting figures-of-merit from PLS models

Course Instructor's Biography
Dr. Jose-Manuel Andrade holds a Chair at the University of A Coruņa (Spain) since 2011. He worked in a refinery as quality control technician. He currently works on multivariate data analysis in the environmental and petrochemical fields and gives training courses for graduated students, as well as continuous training in laboratories (refineries, clinical, etc.) and several universities worldwide. He also works in FTIR applications to speed quality control procedures in several manufacturing environments. After some novel applications of PLS to atomic spectrometry he published a book (edited by the RSC) introducing the principles of PLS multivariate calibration.