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NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules

Natural products (NPs) remain the most prolific resource for the development of small-molecule drugs. Here we report a new machine learning approach that allows the identification of natural products with high accuracy. The method also generates similarity maps, which highlight atoms that contribute...

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Détails bibliographiques
Publié dans:Biomolecules
Auteurs principaux: Chen, Ya, Stork, Conrad, Hirte, Steffen, Kirchmair, Johannes
Format: Artigo
Langue:Inglês
Publié: MDPI 2019
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6406893/
https://ncbi.nlm.nih.gov/pubmed/30682850
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/biom9020043
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