Pittcon Short Course: Modern Methods for Chemometric Analysis

Course Description

Spectroscopic techniques are commonly used to characterize materials. There is a wide variety of chemometric methods now available for analyzing spectroscopy data, ranging from long-established ones such as Principal Component Regression to recent ones such as Support Vector Machines.

This course will provide a practical introduction to chemometric modeling, including quantitative models (that relate spectra to a numeric property) and qualitative models (that answer yes/no questions). The course will not be mathematical, and aims to give you a useful intuitive understanding of how methods work, and how to select & apply them.

You will get hands-on experience using Analyze IQ software, with free licenses provided.

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 and guidelines for setting parameters of each one

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

Target Audience

This is an introductory course, and 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.

Speaker Bio

Dr Michael Madden is the CEO of Analyze IQ Limited. The Analyze IQ software suite is designed to be easy to use, and features patent-protected new chemometric methods as well as traditional methods. Prior to Analyze IQ being set up, Dr Madden held a tenured academic position in the National University of Ireland, and has over a decade of experience in university teaching and research. He has published over 60 peer-reviewed research papers and has received numerous best paper/distinguished paper awards. He has also worked in research in the the University of Helsinki in Finland, the University of California at Irvine, and the University of California at Berkeley.

Registration

Follow this link for information about how to register.