Efficient algorithm for expanding theoretical electron densities in canterakis-zernike functions.
Gabriel Aires Urquiza-CarvalhoGerd Bruno RochaRafael LópezPublished in: J. Comput. Chem. (2018)
Keyphrases
- single pass
- theoretical analysis
- high accuracy
- experimental evaluation
- computational cost
- dynamic programming
- times faster
- computationally efficient
- k means
- learning algorithm
- optimization algorithm
- optimal solution
- neural network
- np hard
- preprocessing
- detection algorithm
- linear programming
- expectation maximization
- high efficiency
- simulated annealing
- particle swarm optimization
- computational complexity
- search space
- objective function
- matching algorithm
- similarity measure
- convergence rate
- recognition algorithm
- complexity analysis
- significant improvement