Multi-objective optimisation of the protein-ligand docking problem in drug discovery.
Abiola OduguwaAshutosh TiwariS. FiorentinoRajkumar RoyPublished in: GECCO (2006)
Keyphrases
- drug discovery
- multi objective optimisation
- ligand docking
- multi objective
- virtual screening
- subcellular localization
- drug design
- chemical compounds
- nsga ii
- multi objective optimization
- early stage
- evolutionary algorithm
- mass spectrometry
- scientific data
- data mining
- multiobjective optimization
- pharmaceutical industry
- systems biology
- discovery process
- biological systems
- optimization algorithm
- knowledge discovery
- genetic algorithm
- similarity searching
- differential evolution
- machine learning