ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.
Yannick DjoumbouRoman EisnerCraig KnoxLeonid L. ChepelevJanna HastingsGareth OwenEoin FahyChristoph SteinbeckShankar SubramanianEvan BoltonRussell GreinerDavid S. WishartPublished in: J. Cheminformatics (2016)
Keyphrases
- automated classification
- pattern recognition
- classification accuracy
- classification systems
- classification scheme
- feature selection
- support vector
- support vector machine
- text classification
- neural network
- feature extraction
- decision trees
- training set
- svm classifier
- decision rules
- computer aided
- nearest neighbor
- feature set
- preprocessing
- training samples
- support vector machine svm
- classification method
- benchmark data sets
- classification models
- automatic classification
- genetic algorithm