Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits.
Alberto GobbiAnthony M. GiannettiHuifen ChenMan-Ling LeePublished in: J. Cheminformatics (2015)
Keyphrases
- similarity function
- distance metric
- clustering method
- similarity measure
- similarity calculation
- software tools
- k means
- dissimilarity measure
- clustering algorithm
- similarity assessment
- hierarchical clustering
- van der waals
- high similarity
- similar objects
- similarity measurement
- euclidean distance
- distance function
- distance measure
- user friendly
- data clustering
- unsupervised learning
- decision support
- web sessions
- similarity computation
- measuring similarity
- xml documents
- data mining
- semi supervised
- data sets
- content similarity
- criterion function
- intra cluster
- end users
- multidimensional scaling
- structural similarity
- cluster analysis