Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds.
Dagmar StumpfeDilyana DimovaJürgen BajorathPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- clustering algorithm
- experimental data
- hierarchical clustering
- neural network
- fuzzy clustering
- cluster analysis
- human activities
- data points
- genetic algorithm
- activity patterns
- input data
- activity recognition
- document clustering
- machine learning
- data sets
- subspace clustering
- arbitrary shape
- topology preserving
- overlapping clusters