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. 2024 Sep 9;11:982. doi: 10.1038/s41597-024-03835-7

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© This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply 2024

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Fig. 9 — TMAP tree of chemical conversion pairs extracted from PubMed abstracts and from Rhea. Each point in the TMAP tree corresponds to a chemical conversion pair, which are clustered according to the similarity of their Differential Reaction Fingerprint (DRFP). Blue, chemical conversion pairs from PubMed abstracts only; red, chemical conversion pairs from Rhea reactions only; yellow, chemical conversion pairs common to both PubMed abstracts and Rhea (as determined by ChEBI ID matching). (a) View of complete TMAP tree. (b) Zoom on the TMAP tree reveals further details of clustering of chemical pairs. Novel chemical pairs from PubMed abstracts, with chemical differences that differ from those curated in Rhea, appear as blue nodes that do not cluster with red, and may be one priority for curation at Rhea and UniProt.