Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling.
Jarmo HuuskonenMarja SaloJyrki TaskinenPublished in: J. Chem. Inf. Comput. Sci. (1998)
Keyphrases
- neural network
- drug design
- prediction model
- artificial neural networks
- prediction accuracy
- elman network
- back propagation
- drug discovery
- pattern recognition
- topology preserving
- predictive model
- training algorithm
- protein structure prediction
- virtual screening
- genetic algorithm
- predictive modeling
- neural network is trained
- human immunodeficiency virus
- multi layer
- competitive learning
- feed forward neural networks
- prediction error
- neural nets
- recurrent neural networks
- feed forward
- neural network model
- radial basis function
- data mining