HINT: A new method of empirical hydrophobic field calculation for CoMFA.
Glen E. KelloggSimon F. SemusDonald J. AbrahamPublished in: J. Comput. Aided Mol. Des. (1991)
Keyphrases
- calculation method
- high precision
- high accuracy
- preprocessing
- main contribution
- theoretical analysis
- similarity measure
- optimization algorithm
- experimental evaluation
- dynamic programming
- pairwise
- probabilistic model
- computationally efficient
- significant improvement
- support vector machine svm
- prior knowledge
- detection algorithm
- fully automatic
- evaluation method
- decision trees