A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization.
Céline Le Bailly de TilleghemBenoît BeckBruno BoulangerBernadette GovaertsPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- optimization algorithm
- improved algorithm
- experimental evaluation
- learning algorithm
- detection algorithm
- cost function
- particle swarm optimization
- recognition algorithm
- simulated annealing
- optimization method
- times faster
- segmentation algorithm
- computational complexity
- computational cost
- optimal solution
- dynamic programming
- np hard
- significant improvement
- k means
- matching algorithm
- optimization process
- clustering method
- selection algorithm
- constrained optimization
- computationally efficient
- optimization procedure
- linear programming
- high accuracy
- worst case
- search space
- estimation algorithm
- neural network
- stochastic gradient
- convex hull
- tree structure
- theoretical analysis
- expectation maximization
- input data
- multimedia