Predicting allergic contact dermatitis: a hierarchical structure-activity relationship (SAR) approach to chemical classification using topological and quantum chemical descriptors.
Subhash C. BasakDenise R. MillsDouglas M. HawkinsPublished in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
- hierarchical structure
- hierarchical classification
- hierarchical structures
- hierarchically structured
- feature vectors
- hierarchical organization
- classification accuracy
- binary tree
- feature extraction
- support vector machine
- image classification
- text classification
- database
- image representation
- random effects
- drug discovery
- tree structure
- feature space
- class labels
- multiscale
- data sets
- image reconstruction
- information retrieval systems
- management system
- web pages
- high dimensional feature spaces