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Short Course

Course Information
Course Title: Modern Methods for Chemometric Analysis
Categories: 1 - Mass Spectrometry
2 - Chemometrics
3 - Data Analysis
4 - Raman Spectroscopy
5 - Spectroscopy
6 - Statistics
Instructor(s): Michael Madden Course Number: 100
Affiliation: Analyze IQ
Course Date: 03/21/2013 - Thursday Course Length: 1 Day Course
Start Time: 08:30 AM End Time: 05:00 PM
Fee: $480 ($680 after 2/18/13) Textbook Fee:

Course Description
Spectroscopic techniques are commonly used to characterize materials. A wide variety of chemometric methods are now available for analyzing spectral data, ranging from long-established ones such as Principal Component Regression to recent ones such as Support Vector Machines. This course provides a practical introduction to chemometric modeling, including quantitative models (to relate spectra to numeric properties) & qualitative models (to answer yes/no questions). The course is not mathematical, but will give you a useful intuitive understanding of how methods work, and how to select, apply & evaluate them. You will get hands-on experience using chemometric software (Analyze IQ Lab) with free licenses provided.

Target Audience
This is an introductory course; no experience of chemometrics is required. The course is suited for scientists in biomedical, pharmaceutical, defense, and law enforcement, as well as researchers working in academia and commercial labs, and analytical chemists who wish to learn about new tools that are designed to work well for complex nonlinear analyses.

Course Outline
Topic 1: Analysis Basics
1.1: What is Chemometrics?
1.2: Introduction to Chemometric Modeling
1.3: Quantitative and Qualitative Analyses
1.4: Data Pre-Processing
1.5: Practical Demonstration

Topic 2: Building Chemometric Models
2.1: Compiling a Dataset
2.2: Selecting an Analysis Technique
2.3: Building a New Model
2.4: Basics of Evaluating Your New Model
2.5: Practical Demonstration

Topic 3: Understanding & Improving Model Performance
3.1: Understanding Results of Qualitative Analyses
3.2: Understanding Results of Quantitative Analyses
3.3: How To Improve Model Performance

Topic 4: Details of Model-Building Methods
4.1: Classification and Quantification Methods, including:
* k Nearest Neighbors
* Linear Regression
* Principal Component Regression
* Support Vector Machines
* Spectral Attribute Voting
4.2: Key features & guidelines for setting parameters

Topic 5: Hands-On Practice
5.1: Opening a File and Applying a Model
5.2: Building a New Model
5.3: Evaluating a Model
5.4: Improving Model Performance

Course Instructor's Biography
Dr Michael Madden is both an expert in chemometrics and an experienced educator. He is the CEO of Analyze IQ Limited (www.AnalyzeIQ.com), a company that develops and sells innovative software for chemometric modeling and analysis. The Analyze IQ software suite is designed to be easy to use, and features patent-protected new chemometric methods as well as traditional methods. It is sold via instrument manufacturers and directly to end-users, and is used in fields as diverse as manufacturing inspection, law enforcement, and pharmaceuticals. Prior to Analyze IQ being set up, Dr Madden held a tenured academic position in the National University of Ireland, Galway, and has over 15 years’ experience in university teaching and research. He has published over 60 peer-reviewed research papers and has received seven best paper/distinguished paper awards. He has also worked in research in the University of Helsinki in Finland, the University of California at Irvine, and the University of California at Berkeley.