Pure and Hybrid Evolutionary Computing in Global Optimization of Chemical Structures: from Atoms and Molecules to Clusters and Crystals.
Kanchan SarkarS. P. BhattacharyyaPublished in: CoRR (2015)
Keyphrases
- global optimization
- hybrid evolutionary
- chemical structures
- virtual screening
- chemical compounds
- simulated annealing
- pso algorithm
- particle swarm optimization
- clustering algorithm
- drug discovery
- evolutionary search
- combining multiple clusterings
- similarity searching
- hierarchical clustering
- metaheuristic
- global search
- binding sites
- evolutionary algorithm
- cluster analysis
- high throughput
- genetic algorithm