A Temporal Graph Model to Predict Chemical Transformations in Complex Dissolved Organic Matter - Plamper, Philipp; Lechtenfeld, Oliver J.; Herzsprung, Peter; Groß, Anika (Environmental science & technology, 2023)
Keywords: Algorithms; Data structures; Decarboxylation; Dissolved organic matter; environmental science; Graphs; Mass spectrometry; Mass spectroscopy; Oxidation; Photochemical reactions; Photochemicals; Photooxidation; prediction; solar radiation; technology; Transformations; complex mixtures; molecular network; temporal graph; DOM; compositional network; photo-oxidation; photodegradation; link prediction; machine learning; unsupervised clustering; community detection