Generalized Fragment-Substructure Based Property Prediction Method.
Matthew ClarkPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- significant improvement
- high precision
- cost function
- high accuracy
- computational complexity
- preprocessing
- synthetic data
- prediction accuracy
- experimental evaluation
- similarity measure
- prediction model
- correlation coefficient
- computationally efficient
- model selection
- dynamic programming
- evolutionary algorithm
- pairwise
- mutual information
- probabilistic model
- segmentation method
- classification method
- fully automatic
- objective function
- machine learning
- exponential smoothing