Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach.
Subhash C. BasakBrian D. GuteGregory D. GrunwaldPublished in: J. Chem. Inf. Comput. Sci. (1997)
Keyphrases
- prediction accuracy
- drug design
- linear regression model
- maximum likelihood
- prediction model
- radial basis function neural network
- root mean square error
- expectation maximization
- regression model
- sensitivity analysis
- prediction algorithm
- input data
- parameter values
- prediction error
- geometric structure
- input parameters