A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening.
Francois BerengerArnout R. D. VoetXiao Yin LeeKam Y. J. ZhangPublished in: J. Cheminformatics (2014)
Keyphrases
- virtual screening
- translation invariant
- drug discovery
- similarity searching
- mathematical morphology
- denoising
- multiscale
- object identification
- wavelet transform
- binding sites
- high throughput
- shift invariant
- rotation invariant
- scoring function
- wavelet packet
- local binary pattern
- keypoints
- object recognition
- similarity search
- morphological operators
- morphological filters
- feature descriptors
- feature extraction
- structuring elements
- systems biology
- image analysis