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