- Article
Selecting Diversified Compounds to Build a Tangible Library for Biological and Biochemical Assays
- Qiong Gu,
- Jun Xu and
- Lianquan Gu
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 alg...

