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Generative Algorithm for Molecular Graphs Uncovers Products of Oil Oxidation

[Image: see text] The autoxidation of triglyceride (or triacylglycerol, TAG) is a poorly understood complex system. It is known from mass spectrometry measurements that, although initiated by a single molecule, this system involves an abundance of intermediate species and a complex network of reacti...

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Vydáno v:J Chem Inf Model
Hlavní autoři: Orlova, Yuliia, Gambardella, Alessa A., Kryven, Ivan, Keune, Katrien, Iedema, Piet D.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2021
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7988456/
https://ncbi.nlm.nih.gov/pubmed/33615781
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01163
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