WizePairZ: a novel algorithm to identify, encode, and exploit matched molecular pairs with unspecified cores in medicinal chemistry.
Daniel J. WarnerStephen A. St-GallayEdward J. GriffenPublished in: J. Cheminformatics (2011)
Keyphrases
- learning algorithm
- linear programming
- experimental evaluation
- optimal solution
- times faster
- high accuracy
- cost function
- dynamic programming
- computational cost
- worst case
- preprocessing
- matching algorithm
- detection algorithm
- np hard
- parallel implementation
- improved algorithm
- recognition algorithm
- optimization algorithm
- segmentation algorithm
- theoretical analysis
- computational complexity
- convergence rate
- input data
- support vector machine
- knn