A Python Toolbox for preprocessing and analysing NMR data
Research compendium for "Using the right tool for the job: understanding the difference between unsupervised and supervised analyses of multivariate ecological data."
Supervised machine learning classification of the binaries compounds
Evaluating and Optimizing Wavelength Selection Using the CCARS Algorithm and Spectral Signals for Lettuce Classification Leveraging PLS-DA Model
A bioinformatics pipeline in R to identify sex-associated biomarkers in the urinary metabolome using PCA, PLS-DA, and Recursive Feature Elimination (RFE).
Reports for the course "Elaborazione di dati scientifici"
NIR-based binary classification of soil nitrogen using PLS-DA, XGBoost, and SVM-RBF with LOOCV evaluation.
Reanalysis of Phaeodactylum tricornutum nitrogen-starvation proteome (PRIDE PXD033328, MaxQuant LFQ): cleaning + Perseus imputation, PCA/PLS-DA, differential proteins, on/off switch theme. Full R.
LC-MS toolkit for a small-molecule study on herbs
Open chemometrics platform for FT-NIR authentication of Amazonian vegetable oils — PLS-DA, OPLS-DA, DD-SIMCA, SHAP | Python + Streamlit
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