Reliable estimation of externally validated prediction errors for QSAR models.
Désirée BaumannKnut BaumannPublished in: J. Cheminformatics (2013)
Keyphrases
- parameter estimation
- model selection
- data sets
- parametric models
- monte carlo simulation
- real world
- decision trees
- experimental data
- modeling framework
- robust estimation
- estimation algorithm
- autoregressive
- random fields
- cost effective
- knowledge discovery
- probabilistic model
- prior knowledge
- bayesian networks
- neural network