NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening.
Alexander BöckerGisbert SchneiderAndreas TeckentrupPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- hierarchical clustering
- virtual screening
- chemical structures
- drug discovery
- similarity searching
- high throughput
- clustering method
- clustering algorithm
- binding sites
- single linkage
- partitional clustering
- hierarchical clustering algorithm
- scoring function
- multimedia
- k means
- text clustering
- data mining
- similarity search