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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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Detalles Bibliográficos
Autores principales: Kunimoto, Ryo, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044633/
https://www.ncbi.nlm.nih.gov/pubmed/30023879
http://dx.doi.org/10.1021/acsomega.8b00344