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

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"

NBA scouting engine: PCA + k-means to find a player's statistical replacements, and PLS-DA to predict All-Stars from box-score data alone. R / R Markdown.

Evaluating and Optimizing Wavelength Selection Using the CCARS Algorithm and Spectral Signals for Lettuce Classification Leveraging PLS-DA Model

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