MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES.
Yongbeom KwonJuyong LeePublished in: J. Cheminformatics (2021)
Keyphrases
- global optimization
- evolutionary algorithm
- particle swarm optimization
- evolutionary search
- multi objective
- ant colony algorithm
- drug discovery
- differential evolution
- pso algorithm
- global search
- global optima
- search space
- multi objective optimization
- optimization problems
- constrained global optimization
- search capabilities
- genetic programming
- global solution
- evolutionary computation
- evolution process
- fitness function
- molecular level
- simulated annealing
- function optimization
- evolutionary programming
- inverse problems
- evolution strategy
- mutation operator
- virtual screening
- stereo vision
- parameter space
- imperialist competitive algorithm
- chemical reaction
- convergence speed
- optimization method
- convergence rate