Selecting Diversified Compounds to Build a Tangible Library for Biological and Biochemical Assays

The quality of diverse compound selection mainly depends on cluster algorithms, descriptors, the combinations of the descriptors, and similarity metrics. The Jarvis-Patrick algorithm, MDL search keys, and Daylight fingerprints are a well accepted algorithm and structure descriptors for compound libr...

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Detalles Bibliográficos
Autores principales: Gu, Qiong, Xu, Jun, Gu, Lianquan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2010
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257665/
https://www.ncbi.nlm.nih.gov/pubmed/20657406
http://dx.doi.org/10.3390/molecules15075031

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257665/
https://www.ncbi.nlm.nih.gov/pubmed/20657406
http://dx.doi.org/10.3390/molecules15075031

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