The Molecule Evoluator. An Interactive Evolutionary Algorithm for the Design of Drug-Like Molecules.
Eric-Wubbo LameijerJoost N. KokThomas BäckAdriaan P. IJzermanPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- evolutionary algorithm
- interaction design
- user interface
- software architecture
- design principles
- design space
- chemical compounds
- genetic algorithm
- interactive systems
- drug discovery
- user centered
- design decisions
- engineering design
- multi objective optimization
- optimization algorithm
- user interaction
- optimization problems
- simulated annealing
- multi objective
- three dimensional
- case study
- information systems