Status of the InChI algorithm and InChI trust.
Stephen R. HellerPublished in: J. Cheminformatics (2012)
Keyphrases
- learning algorithm
- np hard
- search space
- experimental evaluation
- times faster
- clustering method
- optimal solution
- significant improvement
- detection algorithm
- theoretical analysis
- particle swarm optimization
- single pass
- matching algorithm
- computationally efficient
- high accuracy
- computational complexity
- objective function
- semi supervised
- optimization algorithm
- knn
- computational cost
- classification algorithm
- cost function
- selection algorithm
- improved algorithm
- estimation algorithm