Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations.
Patrick C. MaaßTanja Schulz-GaschMartin StahlMatthias RareyPublished in: J. Chem. Inf. Model. (2007)
Keyphrases
- high precision
- cost function
- clustering method
- fully automatic
- synthetic data
- detection method
- support vector machine svm
- computationally efficient
- highly accurate
- segmentation method
- classification accuracy
- computational cost
- preprocessing
- image sequences
- high accuracy
- segmentation algorithm
- support vector machine
- prior knowledge
- objective function
- multiscale