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Natural product-likeness score revisited: an open-source, open-data implementation

BACKGROUND: Natural product-likeness of a molecule, i.e. similarity of this molecule to the structure space covered by natural products, is a useful criterion in screening compound libraries and in designing new lead compounds. A closed source implementation of a natural product-likeness score, that...

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Autori principali: Jayaseelan, Kalai Vanii, Moreno, Pablo, Truszkowski, Andreas, Ertl, Peter, Steinbeck, Christoph
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2012
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3436723/
https://ncbi.nlm.nih.gov/pubmed/22607271
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-13-106
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