Can One Hear the Shape of a Molecule (from its Coulomb Matrix Eigenvalues)?
Joshua SchrierPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- eigenvalues and eigenvectors
- covariance matrix
- singular value decomposition
- shape model
- correlation matrix
- shape analysis
- shape representation
- symmetric matrices
- singular values
- covariance matrices
- shape descriptors
- principal components
- principal component analysis
- drug discovery
- laplacian matrix
- low rank
- face recognition
- shape recognition
- similarity matrix
- linear algebra
- fisher information
- object recognition
- multiscale