EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation.
Jules LeguyThomas CauchyMarta GlavatskikhBéatrice DuvalBenoit Da MotaPublished in: J. Cheminformatics (2020)
Keyphrases
- evolutionary algorithm
- evolutionary computation
- multi objective
- simulated annealing
- differential evolution
- optimization problems
- function optimization
- genetic algorithm
- fitness function
- genetic programming
- lightweight
- mutation operator
- hybrid evolutionary algorithm
- mass spectrometry
- multi objective optimization
- fitness landscape