Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites1.
Hiroko SatohOliver SacherTadashi NakataLingran ChenJohann GasteigerKimito FunatsuPublished in: J. Chem. Inf. Comput. Sci. (1998)
Keyphrases
- similarity scores
- similarity measure
- similarity function
- chemical reactions
- classification accuracy
- pattern recognition
- feature vectors
- feature extraction
- classification process
- feature space
- classification method
- feature analysis
- classification models
- classification algorithm
- machine learning
- feature values
- similarity metrics
- image classification
- feature set
- training set
- support vector
- decision trees
- feature extraction and classification
- discriminative features
- svm classifier
- extracting features
- chemical reaction
- feature representation
- extracted features
- support vector machine svm
- linear combination
- low level
- website
- feature selection
- benchmark datasets
- training samples
- text classification
- feature construction
- gender classification
- features extraction
- feature reduction
- learning algorithm