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Combining Similarity Searching and Network Analysis for the Identification of Active Compounds

[Image: see text] A variety of computational screening methods generate similarity-based compound rankings for hit identification. However, these rankings are difficult to interpret. It is essentially impossible to determine where novel active compounds might be found in database rankings. Thus, com...

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Bibliographic Details
Published in:ACS Omega
Main Authors: Kunimoto, Ryo, Bajorath, Jürgen
Format: Artigo
Language:Inglês
Published: American Chemical Society 2018
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6044633/
https://ncbi.nlm.nih.gov/pubmed/30023879
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b00344
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