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Assigning the Origin of Microbial Natural Products by Chemical Space Map and Machine Learning

Microbial natural products (NPs) are an important source of drugs, however, their structural diversity remains poorly understood. Here we used our recently reported MinHashed Atom Pair fingerprint with diameter of four bonds (MAP4), a fingerprint suitable for molecules across very different sizes, t...

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Dettagli Bibliografici
Pubblicato in:Biomolecules
Autori principali: Capecchi, Alice, Reymond, Jean-Louis
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2020
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7600738/
https://ncbi.nlm.nih.gov/pubmed/32998475
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/biom10101385
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