Using Molecular Representations in Combination with Neural Networks. a Case Study: Prediction of the HPLC Retention Index.
J. R. M. SmitsWillem J. MelssenG. J. DaalmansGerrit KatemanPublished in: Comput. Chem. (1994)
Keyphrases
- neural network
- prediction accuracy
- artificial neural networks to predict
- pattern recognition
- prediction model
- long term
- drug design
- multi layer
- neural networks and support vector machines
- test bed
- protein structure prediction
- prediction algorithm
- neural network ensemble
- three dimensional
- radial basis function network
- radial basis function neural network
- competitive learning
- multi layer perceptron
- prediction error
- feed forward
- fuzzy logic
- control system
- artificial neural networks
- combining multiple
- fuzzy systems
- higher level
- multi dimensional
- dna computing
- molecular dynamics
- distributed representations
- chaotic time series
- symbolic knowledge
- van der waals