A Constant Time Algorithm for Estimating the Diversity of Large Chemical Libraries.
Dimitris K. AgrafiotisPublished in: J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
- learning algorithm
- computational complexity
- experimental evaluation
- matching algorithm
- dynamic programming
- np hard
- preprocessing
- selection algorithm
- theoretical analysis
- segmentation algorithm
- optimization algorithm
- tree structure
- k means
- simulated annealing
- linear programming
- computationally efficient
- recognition algorithm
- estimation algorithm
- improved algorithm
- times faster
- single pass
- classification algorithm
- detection algorithm
- worst case
- probabilistic model
- optimal solution
- similarity measure