Determining Molecular Similarity for Drug Discovery using the Wavelet Riemannian Metric.
Elinor VelasquezEmmanuel R. YeraRahul SinghPublished in: BIBE (2006)
Keyphrases
- drug discovery
- riemannian metric
- virtual screening
- early stage
- similarity measure
- vector space
- systems biology
- scientific data
- multiscale
- shape representation
- covariance matrices
- fisher information
- distance measure
- distance function
- shape space
- denoising
- discovery process
- euclidean distance
- tensor field
- image segmentation
- data mining
- matching algorithm
- data management
- feature extraction