An Algorithm for the Perception of Synthetically Important Rings.
Johann GasteigerClemens JochumPublished in: J. Chem. Inf. Comput. Sci. (1979)
Keyphrases
- theoretical analysis
- computational cost
- improved algorithm
- computational complexity
- preprocessing
- detection algorithm
- significant improvement
- input data
- clustering method
- experimental study
- matching algorithm
- computationally efficient
- times faster
- high accuracy
- worst case
- cost function
- k means
- optimal solution
- recognition algorithm
- simulated annealing
- optimization algorithm
- support vector machine svm
- feature selection
- search space
- objective function