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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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Bibliografiska uppgifter
I publikationen:ACS Omega
Huvudupphovsmän: Kunimoto, Ryo, Bajorath, Jürgen
Materialtyp: Artigo
Språk:Inglês
Publicerad: American Chemical Society 2018
Länkar: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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