A CoMFA analysis with conformational propensity: An attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method.
Keigo GohdaIchiro MoriDaisaku OhtaTakeshi KikuchiPublished in: J. Comput. Aided Mol. Des. (2000)
Keyphrases
- high accuracy
- initial set
- pairwise
- dynamic programming
- computational complexity
- preprocessing
- significant improvement
- computational cost
- input data
- probabilistic model
- method finds
- sar images
- high precision
- feature set
- edge detection
- classification accuracy
- data sets
- similarity measure
- feature selection
- genetic algorithm