A hierarchical algorithm for molecular similarity (H-FORMS).
Alonso Ramirez-ManzanaresJoaquín PeñaJon M. AzpirozGabriel MerinoPublished in: J. Comput. Chem. (2015)
Keyphrases
- similarity measure
- computational cost
- optimization algorithm
- dynamic programming
- detection algorithm
- learning algorithm
- high accuracy
- cost function
- significant improvement
- preprocessing
- times faster
- hierarchical clustering
- simulated annealing
- computationally efficient
- matching algorithm
- convergence rate
- linear programming
- theoretical analysis
- data sets
- experimental evaluation
- k means
- search space
- three dimensional
- expectation maximization
- input data
- segmentation algorithm
- distance function
- computational complexity
- convex hull
- objective function
- recognition algorithm
- binary tree