13C NMR Chemical Shift Sum Prediction for Alkanes Using Neural Networks.
Ovidiu IvanciucJean-Pierre RabineDaniel Cabrol-BassPublished in: Comput. Chem. (1997)
Keyphrases
- neural network
- prediction accuracy
- artificial neural networks to predict
- prediction model
- neural network ensemble
- pattern recognition
- artificial neural networks
- genetic algorithm
- back propagation
- neural networks and support vector machines
- drug discovery
- multi layer perceptron
- data sets
- objective function
- chemical compounds
- prediction error
- neural nets
- multilayer perceptron
- fuzzy logic
- multi layer
- weighted sum
- fuzzy neural network
- competitive learning
- radial basis function network
- associative memory
- neural network model