The total dimension of a molecule represented by directional WHIM size mass descriptors
The shape of the molecule represented by directional WHIM shape mass descriptors
The total symmetry of the molecule represented by directional WHIM symmetry mass descriptors
The total density of the atoms accounted for by directional WHIM density mass descriptors within a molecule
1st eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size
2nd eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size
3rd eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size
Electrostatic balance parameter on the solvent accessible surface
1st eigenvalue of the covariance matrix of the molecule atomic coordinates, which account for the molecular size
2nd eigenvalue of the covariance matrix of the molecule atomic coordinates, which account for the molecular size