ReactionMap: An Efficient Atom-Mapping Algorithm for Chemical Reactions.
David FoosheeAlessio AndronicoPierre BaldiPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- learning algorithm
- times faster
- k means
- expectation maximization
- experimental evaluation
- optimization algorithm
- preprocessing
- neural network
- cost function
- input data
- classification algorithm
- theoretical analysis
- computationally efficient
- detection algorithm
- memory efficient
- estimation algorithm
- recognition algorithm
- convex hull
- objective function
- experimental study
- clustering method
- dynamic programming
- computational complexity
- multi objective
- high accuracy
- computational cost
- video sequences
- segmentation algorithm
- optimal solution
- significant improvement
- particle swarm optimization
- path planning
- multiscale
- memory requirements
- knn
- selection algorithm
- np hard