resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal reasoning, plus pathway enrichment to put results into biological context. GUI-based (minimal coding experience required).

Predicting chemosensitivity using gene expression

R Package accomodating research for DMAS-qPCR study

Variable Penalty Dynamic Time Warping

Spectroscopic data processing approaches for petroleum wax discrimination

An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands

Tools for Metabolomics and mass Spectrometry users

An R Package and Database containing Information on Chemicals

Spectroscopic data processing approaches for petroleum wax blends quantification

Modelos utilizados en seminario de investigación y la aplicación web mlbiopredict.

This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM

Data processing approaches for paraffin wax odor discrimination and quantification

Repository for analyzing paraffin wax using Vis-NIR and machine learning techniques to assess hydroprocessing.