Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms.
Patrick BultinckRamon Carbó-DorcaPublished in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
- similarity matrix
- spectral clustering
- clustering method
- similarity matrices
- pairwise
- hierarchical clustering
- co occurrence
- clustering algorithm
- similarity measure
- quadratic form
- molecular interactions
- dimension reduction
- data clustering
- latent semantic indexing
- spectral graph
- k means
- chemical reactions
- virtual screening
- pair wise similarity
- document clustering
- document retrieval
- feature vectors
- information retrieval
- data sets