Application of recurrent neural networks in chemistry. Prediction and classification of carbon-13 NMR chemical shifts in a series of monosubstituted benzenes.
Vladimir KvasnickaStepan SklenakJiri PospichalPublished in: J. Chem. Inf. Comput. Sci. (1992)
Keyphrases
- recurrent neural networks
- pattern recognition
- neural network
- classification method
- feature extraction
- machine learning
- classification algorithm
- prediction accuracy
- model selection
- classification accuracy
- feature space
- decision trees
- feature vectors
- neural networks and support vector machines
- echo state networks
- recurrent networks
- neural model
- feedforward neural networks
- feed forward
- support vector
- feature selection
- artificial intelligence
- cross validation
- genetic algorithm
- prediction model
- decision making
- support vector machine svm
- text classification
- chaotic time series
- long term