Algorithm for Reaction Classification.
Hans KrautJosef EiblmaierGuenter GrethePeter LöwHeinz MatuszczykHeinz SallerPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- classification algorithm
- times faster
- detection algorithm
- preprocessing
- optimization algorithm
- search space
- dynamic programming
- objective function
- computational cost
- experimental evaluation
- benchmark data sets
- classification method
- neural network
- k means
- optimal solution
- pattern recognition
- feature space
- cost function
- segmentation algorithm
- learning algorithm
- matching algorithm
- class labels
- support vector machine svm
- improved algorithm
- classification accuracy
- accuracy rate
- training phase
- classification scheme
- data sets
- nearest neighbour
- recognition algorithm
- convergence rate
- support vector machine
- knn
- np hard
- feature vectors
- feature selection