The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification.
Ansgar SchuffenhauerPeter ErtlSilvio RoggoStefan WetzelMarcus A. KochHerbert WaldmannPublished in: J. Chem. Inf. Model. (2007)
Keyphrases
- hierarchical classification
- pattern recognition
- supervised learning
- decision trees
- classification accuracy
- unsupervised learning
- training samples
- classification process
- knowledge building
- classification algorithm
- model selection
- preprocessing
- training data
- feature space
- support vector machine svm
- decision rules
- classification method
- hierarchical structure
- cost sensitive
- data analysis
- automatic classification
- feature extraction