A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm.
Dominique DouguetEtienne ThoreauGérard GrassyPublished in: J. Comput. Aided Mol. Des. (2000)
Keyphrases
- evolutionary algorithm
- drug design
- genetic algorithm
- multi objective
- fitness function
- multi objective optimization
- mutation operator
- optimization problems
- differential evolution
- simulated annealing
- crossover operator
- neural network
- quantitative structure activity
- evolutionary strategy
- protein structure prediction
- fitness sharing
- drug discovery
- protein protein interactions
- particle swarm optimization
- data mining