Docking-based Multi-objective Molecular optimization Pipeline using Structure-constrained Genetic Algorithm.
Yurim LeeKyudam ChoiCheongwon KimPublished in: BIBM (2022)
Keyphrases
- multi objective
- genetic algorithm
- optimization algorithm
- evolutionary algorithm
- multiple objectives
- evolutionary optimization
- multi objective optimization
- optimization method
- multiobjective optimization
- conflicting objectives
- optimization problems
- particle swarm
- optimum design
- particle swarm optimization
- real coded
- multi objective evolutionary algorithms
- nsga ii
- concave convex procedure
- fitness function
- estimation of distribution algorithms
- engineering design problems
- objective function
- pareto optimal
- evolutionary computation
- bi objective
- parameter optimization
- penalty function
- immune genetic algorithm
- lagrange multipliers
- neural network
- multi objective evolutionary
- hiv protease
- molecular structures
- three dimensional
- saddle point
- simulated annealing
- genetic programming
- optimization methods
- differential evolution
- evolution strategy
- global search
- global optimization