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...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2019-01-01
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Series: | Biomolecules |
Subjects: | |
Online Access: | https://www.mdpi.com/2218-273X/9/2/43 |