Blar i Department of Informatics på forfatter "Hirte, Steffen"
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NP-scout: Machine learning approach for the quantification and visualization of the natural product-likeness of small molecules
Chen, Ya; Stork, Conrad; Hirte, Steffen; Kirchmair, Johannes (Peer reviewed; Journal article, 2019)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. ...