Comparative analyses of structural features and scaffold diversity for purchasable compound libraries

Large purchasable screening libraries of small molecules afforded by commercial vendors are indispensable sources for virtual screening (VS). Selecting an optimal screening library for a specific VS campaign is quite important to improve the success rates and avoid wasting resources in later experim...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Shang, Jun, Sun, Huiyong, Liu, Hui, Chen, Fu, Tian, Sheng, Pan, Peichen, Li, Dan, Kong, Dexin, Hou, Tingjun
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2017
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5400773/
https://ncbi.nlm.nih.gov/pubmed/29086044
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0212-4
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