Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis.
Ling XueJeffrey W. GoddenHua GaoJürgen BajorathPublished in: J. Chem. Inf. Comput. Sci. (1999)
Keyphrases
- principal component analysis
- automatic classification
- small number
- pattern recognition
- feature vectors
- feature space
- classification accuracy
- neural network
- three dimensional
- preprocessing
- feature set
- support vector machine svm
- classification algorithm
- discriminant analysis
- pattern classification
- highly discriminative
- nearest neighbour
- pre classified
- classification scheme
- classification method
- dimensionality reduction
- machine learning