Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method.
Jörg K. WegnerAndreas ZellPublished in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
- high precision
- preprocessing
- prediction model
- cost function
- experimental evaluation
- detection method
- segmentation method
- computational cost
- prediction algorithm
- computational complexity
- prediction error
- neural network
- classification accuracy
- classification method
- probabilistic model
- predictive model
- support vector machine
- artificial neural networks
- pairwise
- objective function
- multiscale