Prediction of Physicochemical Parameters by Atomic Contributions.
Scott A. WildmanGordon M. CrippenPublished in: J. Chem. Inf. Comput. Sci. (1999)
Keyphrases
- prediction accuracy
- linear regression model
- prediction model
- maximum likelihood
- parameter estimation
- parameter values
- prediction algorithm
- sensitivity analysis
- parameter space
- root mean square error
- stepwise regression
- machine learning
- phase space reconstruction
- extreme values
- protein structure prediction
- parameter optimization
- parameter tuning
- pairwise
- video sequences
- multiscale