Improved grid-based algorithm for Bader charge allocation.
Edward SanvilleSteven D. KennyRoger SmithGraeme HenkelmanPublished in: J. Comput. Chem. (2007)
Keyphrases
- improved algorithm
- learning algorithm
- times faster
- detection algorithm
- high accuracy
- single pass
- selection algorithm
- computationally efficient
- probabilistic model
- np hard
- cost function
- preprocessing
- computational complexity
- optimization algorithm
- data sets
- genetic algorithm
- recognition algorithm
- image processing
- matching algorithm
- search space
- objective function
- optimal solution
- experimental evaluation
- particle swarm optimization
- input data
- segmentation algorithm
- linear programming
- similarity measure
- clustering method
- experimental study
- tree structure
- classification algorithm
- worst case
- convergence rate
- data structure
- neural network
- significant improvement