Automated molecular design: A new fragment-joining algorithm.
Andrew R. LeachSimon R. KilvingtonPublished in: J. Comput. Aided Mol. Des. (1994)
Keyphrases
- np hard
- dynamic programming
- high accuracy
- detection algorithm
- computationally efficient
- preprocessing
- segmentation algorithm
- worst case
- single pass
- improved algorithm
- convergence rate
- computer aided
- tree structure
- particle swarm optimization
- experimental evaluation
- cost function
- search space
- expectation maximization
- learning algorithm
- selection algorithm
- times faster
- similarity measure
- matching algorithm
- design process
- computational complexity
- clustering method
- optimization algorithm
- three dimensional
- theoretical analysis
- case study
- sequence alignment
- computational cost