We have developed analytical techniques as well as data processing and data analysis tools. Please follow the links to the resources that we have made freely available.

Analytical

• Standard Operating Procedures (SOPs) for Metabolomics and SERS

Chemometrics Code

• Cluster Toolbox on Github – our BioSpec.Net data analysis Matlab code
• Machine learning on GitHub – our BioSpec.Net our R code for PLS-DA, SVM, RFs with resampling
• PyChem – our BioSpec.Net GUI data analysis Python code
• hyperSpec – code written in R from Claudia Beleites
• CLIRSPEC Summer School – Matlab/Octave code from @AlexHenderson00 in Github
• Matlab tutorial with code from 2003

Tutorials

• A collection of useful links to on-line resources
• PC-DFA, SVM, RF and PLS-DA – a tutorial review from BioSpec.Net published in ACA 2015
• A ppt tutorial review presented at Metabolomics 2006
• Lecture – Design of Experiments questions and answers
• Paper – Manifesto for Reproducible Science
• Paper – Avoiding False Discoveries
• Paper – Bring on the Biomarkers

CLIRSPEC – Summer School

• Lecture on Multivariate Analysis
• Paper – Tutorial Review
• Notes – Biomarkers and their discovery
• Notes – Multivariate analysis and introducing PCA and DA