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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| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI AG
2010-07-01
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| coleção: | Molecules |
| Assuntos: | |
| Acesso em linha: | http://www.mdpi.com/1420-3049/15/7/5031/ |
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