Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenase.
Maciej SzaleniecMalgorzata WitkoRyszard TadeusiewiczJakub GoclonPublished in: J. Comput. Aided Mol. Des. (2006)
Keyphrases
- application of artificial neural networks
- artificial neural networks
- chemical reaction
- prediction accuracy
- linear regression model
- root mean square error
- maximum likelihood estimation
- chemical reactions
- experimental data
- maximum likelihood
- prediction algorithm
- radial basis function neural network
- genetic algorithm
- parameter selection
- input parameters
- frequency domain
- parameter estimation
- prediction error
- parameter settings
- parameter tuning
- parameter values
- cellular automata
- measured data
- parameter optimization
- image quality
- extreme values
- multiscale
- case study
- search engine
- database