PathOpt - A global transition state search approach: Outline of algorithm.
Christoph GrebnerLukas P. PasonBernd EngelsPublished in: J. Comput. Chem. (2013)
Keyphrases
- search space
- search strategy
- learning algorithm
- search efficiency
- search procedure
- state variables
- detection algorithm
- computational complexity
- matching algorithm
- optimization algorithm
- high accuracy
- computational cost
- dynamic programming
- preprocessing
- cost function
- tree structure
- times faster
- exhaustive search
- probabilistic model
- segmentation algorithm
- optimal solution
- decision trees
- solution space
- improved algorithm
- feature selection
- search algorithm
- genetic algorithm