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Short Course

Course Information
Course Title: (CANCELED) Analysis of Bioanalytical Data to Extract Relevant Information
Categories: 1 - Chemometrics
2 - Pharmaceutical Sciences
3 - Data Analysis
4 - Polymerase Chain Reaction
5 - Proteomics
6 - Life Sciences
Instructor(s): Mikael Kubista / Jose Andrade Course Number: 144
Affiliation: University of A Corunna, Dep. Analytical Chemistry
Course Date: 03/07/2017 - Tuesday Course Length: 1 1/2 Day Course
Start Time: 08:30 AM End Time: 05:00 PM
Course Date 2: 03/08/2017 - Wednesday    
Start Time: 08:30 AM End Time: 12:30 PM
Fee: $850 ($1175 after 2/18/17) Textbook Fee:

Course Description
Most tasks scientists must address are related to extraction of relevant information for decission-making. Although some problems are solved applying univariate statistics, many are multivariate in nature; e.g. quality control in chemical industries, PAT in pharma industries, environmental monitoring, spectral analyses, genomic/proteomic studies, data mining, etc. In any case, a sound understanding of the principles underlying some fundamental, widely applied chemometric (either univariate and multivariate) tools is required. Often, such knowledge is not covered by undergraduate training and self-learning is hard. This course presents intuitive explanations to comprehend the fundamentals of the most common univariate and multivariate tools to analyse bio- and analytical data data (mathematical theory is explained, but kept to a minumum. Focus is on understanding the principles and interpreting results). Participants will be trained on several practical real-life examples and will be provided a free license time limited license on dedicated software for multivariate analysis.

Target Audience
Professionals working in bio- , analytical, life sciences, pharma and biotech industry. Post-graduate students willing to complement their skills and explore new ways of working. Quality control technicians. The course also fits researchers and engineers working with PAT tasks, mainly multivariate data analysis and data mining.

Course Outline
1. Descriptive and inferential statistical tools. Review of classical statistics.
2. More advanced principles of statistics
a. probability, hypothesis testing and extrapolation
b. parametric vs. non-parametric tests
c. can we trust in published results?
3. Calibration in bio- and analytical laboratories. Critical issues.
4. Why do we need multivariate chemometric tools?
a. Introducing the issues, FDA-PAT guideline, EU (CEN) guidelines/technical specifications
b. Example illustrating issues when analysing data with classical univariate tests
5. How to organize data for multivariate studies. The importance of data pretreatment for multivariate analysis
a. Organizing the data; visual presentation, quality control
b. Different data pretreatments; normalization, scaling (columns vs rows; autoscale vs. mean center)
c. Examples from spectroscopy and chromatography
d. Classification of chemometric techniques
6. Finding groups of samples: hierarchical clustering and heatmaps
a. Theoretical discussions
b. Examples from environmental analysis and diagnostics
c. Illustration of the impact of scaling
7. Data mining and pattern recognition
a. Theoretical discussions mainly based on illustrations
b. Examples: environmental, food, biochemical
c. Dynamic PCA
8. A step forward: introducing supervised classification
a. Potential Curves
b. Support vector machines
c. Discriminant PLS

Examples are analysed usually together in-group after each method or principle introduced. All participants receive free of charge time-limited license to a dedicated software for multivariate analysis. Students will also be encouraged to bring their own data sets and will be supported analysing them.

Course Instructor's Biography
Prof. Mikael Kubista was among the pioneers developing and applying chemometric methods. He introduced Procrustes rotation for calibration of samples and demonstrated that spectra of unknowns could be determined despite extensive spectral overlap by multivariate spectroscopic analysis. He co-founded MultiD Analyses (www.multid.se), which today is a leading company developing software for multivariate and multidimensional analysis with products such as DATAN and GenEx. During the last decade Dr Kubista introduced multivariate methods for expression profiling and he founded the TATAA Biocenters as a leading provider of real-time PCR expression services. The TATAA Biocenters are leading organizers of hands-on training in biostatistics educating annually over 300 scientists across the world. Kubista is member of the CEN and ISO technical committees drafting the forthcoming technical specifications and guidelines for Molecular Diagnostics Investigations – Specifications for the Preexaminations Processes for DNA, RNA, and protein analyses in blood, fresh frozen tissues and preserved tissues. Dr. Jose Andrade holds a Chair at the University of A Coruņa (Spain) since 2011. He has worked in a refinery as a quality control manager and he currently works on multivariate data analysis in the environmental and petrochemical fields. His interests include FTIR and Atomic Spectrometry (ETAAS), and he recently edited a book (RSC, United Kingdom) introducing the principles of multivariate calibration. He was also involved in the environmental studies dealing with oil pollution in the sea and airborne pollution control.