Computational Metabolomics: From Cheminformatics to Machine Learning (Dagstuhl Seminar 20051) ⬇️

artículo científico publicado en 2020

Computational Metabolomics: Identification, Interpretation, Imaging (Dagstuhl Seminar 17491)

proceedings

Computer Tools for Structure Elucidation in Effect-Directed Analysis

Dataset for "Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)"

Digital Detective Work: Connecting Cheminformatics, Mass Spectrometry and our Environment via Open Data (RSC Open Data for Chemistry)

Environmental Cheminformatics: Case study of Thirdhand Smoke in House Dust

PubChemLite tier0 and tier1

data set

Recent analytical methods for risk assessment of emerging contaminants in ecosystems

S20 | BISPHENOLS | Bisphenols

record in Zenodo