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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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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Kunimoto, Ryo, Bajorath, Jürgen
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha: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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