The molecule evoluator: an interactive evolutionary algorithm for designing drug molecules.
Eric-Wubbo LameijerAdriaan P. IJzermanJoost N. KokPublished in: GECCO (2005)
Keyphrases
- evolutionary algorithm
- drug discovery
- virtual screening
- multi objective
- pharmaceutical industry
- evolutionary computation
- chemical compounds
- ligand docking
- optimization problems
- simulated annealing
- differential evolution
- function optimization
- user friendly
- multi objective optimization
- genetic programming
- computer graphics
- neural network
- fitness function
- genetic operators
- hybrid evolutionary algorithm
- mutation operator
- virtual reality
- similarity searching
- information systems
- computer vision
- learning algorithm