Description of organic reactions based on imaginary transition structures. 3. Classification of one-string reactions having an odd-membered cyclic reaction graph.
Shinsaku FujitaPublished in: J. Chem. Inf. Comput. Sci. (1986)
Keyphrases
- chemical reactions
- classification accuracy
- pattern recognition
- automatic classification
- machine learning
- feature vectors
- text classification
- image classification
- training set
- feature space
- support vector machine
- chemical reaction
- classification rules
- classification scheme
- support vector machine svm
- supervised learning
- classification algorithm
- graph model
- directed graph
- pattern classification
- decision trees
- graph theory
- regular expressions
- benchmark datasets
- graph representation
- graph structures
- proximity graph
- bipartite graph
- classification models
- decision rules
- structured data
- training samples
- k nearest neighbor
- preprocessing
- data structure
- bayesian networks
- feature selection