A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.
Gareth JonesPeter WillettRobert C. GlenPublished in: J. Comput. Aided Mol. Des. (1995)
Keyphrases
- genetic algorithm
- drug discovery
- evolutionary algorithm
- fitness function
- neural network
- population size
- multi objective
- lightweight
- prize collecting
- optimization method
- metaheuristic
- genetic programming
- artificial neural networks
- three dimensional
- multi objective optimization
- crossover operator
- binding sites
- fuzzy logic