Structural clustering of millions of molecular graphs.
Madeleine SeelandAndreas KarwathStefan KramerPublished in: SAC (2014)
Keyphrases
- graph theoretic
- graph clustering
- clustering algorithm
- clustering method
- graph partitioning
- data clustering
- k means
- categorical data
- structural information
- graph model
- data points
- data sets
- cluster analysis
- spectral clustering
- graph theory
- information theoretic
- graph mining
- outlier detection
- self organizing maps
- unsupervised learning
- random graphs