Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity".
Nadine SchneiderDaniel M. LoweRoger A. SayleGregory A. LandrumPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- chemical reactions
- chemical reaction
- classification algorithm
- feature extraction
- support vector
- pattern recognition
- case study
- decision rules
- classification systems
- knowledge based systems
- supervised learning
- small scale
- training set
- feature space
- pattern classification
- classification method
- class membership
- decision trees
- image classification
- distance measure
- support vector machine
- preprocessing
- software engineering
- development process
- semi supervised
- semantic similarity
- automatic classification
- classification scheme
- feature vectors
- similarity measure
- real world
- fingerprint classification
- hierarchical text classification