Efficient algorithm for quantitative assessment of similarities among atoms in molecules.
Jerzy CioslowskiBoris B. StefanovPere ConstansPublished in: J. Comput. Chem. (1996)
Keyphrases
- detection algorithm
- computational complexity
- computational cost
- dynamic programming
- learning algorithm
- recognition algorithm
- computationally efficient
- experimental evaluation
- np hard
- single pass
- estimation algorithm
- high accuracy
- significant improvement
- computationally intensive
- high efficiency
- improved algorithm
- similarity measure
- optimization algorithm
- theoretical analysis
- search space
- preprocessing
- cost function
- highly efficient
- worst case
- objective function
- selection algorithm
- times faster
- convergence rate
- scheduling problem
- matching algorithm
- neural network
- image segmentation
- k means
- classification algorithm
- denoising
- data structure
- expectation maximization
- particle swarm optimization
- linear programming
- simulated annealing