QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP.
Bernd BeckAndreas BreindlTimothy ClarkPublished in: J. Chem. Inf. Comput. Sci. (2000)
Keyphrases
- error estimation
- statistical models
- neural network
- model selection
- complex systems
- experimental data
- data sets
- learning algorithm
- error estimates
- knn
- nearest neighbor
- neural network model
- tangent distance
- classification models
- computational models
- cross validation
- parameter estimation
- semi supervised
- fuzzy logic
- control system
- data mining