Implementation of the Hungarian Algorithm to Account for Ligand Symmetry and Similarity in Structure-Based Design.
William J. AllenRobert C. RizzoPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- learning algorithm
- parallel implementation
- hardware architecture
- similarity measure
- preprocessing
- k means
- tree structure
- optimization algorithm
- experimental evaluation
- input data
- times faster
- distance metric
- matching algorithm
- detection algorithm
- theoretical analysis
- cost function
- optimal solution
- graph structure
- dynamic programming
- search space
- hardware implementation
- clustering algorithm
- case study
- neural network
- bit rate
- expectation maximization
- worst case
- significant improvement