Clustering of chemical structures on the basis of two-dimensional similarity measures.
John M. BarnardGeoffrey M. DownsPublished in: J. Chem. Inf. Comput. Sci. (1992)
Keyphrases
- chemical structures
- similarity measure
- combining multiple clusterings
- clustering method
- k means
- clustering algorithm
- consensus clustering
- hierarchical clustering
- spectral clustering
- data points
- cluster analysis
- document clustering
- unsupervised classification
- data clustering
- data objects
- clustering ensemble
- virtual screening