Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids.
Anna RybinskaAnita SosnowskaMaciej BaryckiTomasz PuzynPublished in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
- optimization method
- optimization algorithm
- optimization methods
- optimization process
- differential evolution
- evolutionary algorithm
- genetic algorithm
- nonlinear optimization
- particle swarm
- global optimum
- simulated annealing
- metaheuristic
- optimization procedure
- three dimensional
- nelder mead simplex
- predictive modeling
- convergence speed
- neural network training
- quasi newton
- particle swarm optimization