Supplementary information for iPRESTO: Automated discovery of biosynthetic sub-clusters linked to specific natural product substructures.

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posted on 2023-02-09, 18:55 authored by Joris J. R. Louwen, Satria A. Kautsar, Sven van der Burg, Marnix H. Medema, Justin J. J. van der Hooft

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specific chemical moiety often physically clustered initial computational methodologies impractically large number derived mass features valuable natural products could correctly identify cognate gene clusters coding protein families clusters therefore provide clusters across 150 mibig reference bgcs many bgcs consist 000 prokaryotic bgcs experimentally characterised sub biosynthetic gene clusters bgc databases ),linking chemical structures linking bgcs natural product could predict clusters linked cluster families biosynthetic sub improved linking microbial bgcs bgcs ).work paves unsupervised sub topic modelling structural annotation statistical analysis resulting sub possible sub outdated datasets occurrence patterns multiple groups important link detected sub deeper functional current approaches confirm 83 cluster detection candidate bgc automated discovery applied clinically 145 actinobacteria

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