An Algorithm To Directly Identify a Molecule's "Most Different" Conformations.
Andrew R. LeachPublished in: J. Chem. Inf. Comput. Sci. (1994)
Keyphrases
- computational cost
- k means
- detection algorithm
- convergence rate
- high accuracy
- experimental evaluation
- significant improvement
- learning algorithm
- dynamic programming
- cost function
- preprocessing
- computational complexity
- improved algorithm
- artificial neural networks
- data sets
- times faster
- theoretical analysis
- optimization algorithm
- energy function
- estimation algorithm
- tree structure
- clustering method
- bayesian networks
- computationally efficient
- linear programming
- mobile robot
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- np hard