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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Detalles Bibliográficos
Autores principales: Chen, Ya, Stork, Conrad, Hirte, Steffen, Kirchmair, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6406893/
https://www.ncbi.nlm.nih.gov/pubmed/30682850
http://dx.doi.org/10.3390/biom9020043

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6406893/
https://www.ncbi.nlm.nih.gov/pubmed/30682850
http://dx.doi.org/10.3390/biom9020043

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