Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors.
Ronald M. A. KnegtelDenis M. BayadaRichard A. EnghWolfgang von der SaalVincent J. van GeeresteinPeter D. J. GrootenhuisPublished in: J. Comput. Aided Mol. Des. (1999)
Keyphrases
- experimental evaluation
- computational complexity
- objective function
- computational cost
- estimation algorithm
- optimal solution
- probabilistic model
- incremental version
- improved algorithm
- times faster
- theoretical analysis
- worst case
- dynamic programming
- np hard
- cost function
- k means
- learning algorithm
- preprocessing
- similarity measure
- single pass
- computationally efficient
- detection algorithm
- clustering method
- neural network
- decision trees
- recognition algorithm
- convex hull
- path planning
- optimization algorithm
- expectation maximization
- data sets
- hidden markov models