Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach.
Anton SchwaighoferTimon SchroeterSebastian MikaJulian LaubAntonius ter LaakDetlev SülzleUrsula GanzerNikolaus HeinrichKlaus-Robert MüllerPublished in: J. Chem. Inf. Model. (2007)
Keyphrases
- prediction error
- prediction accuracy
- prediction algorithm
- error analysis
- computationally efficient
- database
- image processing
- prediction model
- high accuracy
- data sets
- highly accurate
- learning algorithm
- neural network
- support vector
- multiscale
- feature selection
- factor analysis
- error propagation
- approximation error
- extreme values