Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm.
Ling XueJürgen BajorathPublished in: J. Chem. Inf. Comput. Sci. (2000)
Keyphrases
- genetic algorithm
- principal component analysis
- dimension reduction
- pattern recognition
- feature vectors
- feature extraction
- classification accuracy
- feature selection
- text classification
- feature space
- support vector machine
- molecular structure
- support vector
- drug discovery
- preprocessing
- support vector machine svm
- linear discriminant analysis
- independent component analysis
- machine learning
- neural network
- pattern classification
- classification method
- shape descriptors
- principal components
- computer vision
- artificial neural networks
- genetic algorithm ga
- image classification
- training set
- multi objective