Data Science Portfolio

Feature selection method for spectroscopy dataset

'Rapid measurement of soluble xylo-oligomers using near-infrared spectroscopy (NIRS) and multivariate statistics: calibration model development and practical approaches to model optimization’ (Biotechnology for Biofuels and Bioproducts 2024)

Example using the multivariate data analysis (MVA) prediction API

Projeto de análise uni e multivariada de dados químicos (Quimiometria) desenvolvido utilizando linguagem Pyhton.

Background Estimation in Chemical Spectra

Combined with multivariate calibration methods, near- infrared (NIR) spectroscopy is a non-destructive, rapid, precise and inexpensive analytical method to predict chemical contents of organic products.

Spectra data handling in Python

Non-linear fitting tool for supramolecular titration experiments and kinetics.

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R Code for pretty plotting of FTIR spectra

A list of functions, matlab interfaces and data to do chemometrics using chat GPT - Under development!

A mirror and a fork of PyChem

ANOVA-Simultaneous Component Analysis

Spectro-kinetic analysis

Documents scripts for processing raw chromatography data. It also includes related tasks such as visualizing raw data files for mass spec, UV, and fluorescence data.

Estadística aplicada en Química Analítica

Optimized R-Scripts of Thesis_stat, with more focus on automatisation

chemtools is a Python library designed to simplify chemometric analyses. It provides a user-friendly interface for performing various operations.

Functions to analyse mid infrared spectra of peat samples