2nd eigenvalue of the covariance matrix weighted by polarizability of the molecule atomic coordinates, which account for the molecular size
1st eigenvalue of the covariance matrix weighted by polarizability of the molecule atomic coordinates, which account for the molecular size
The total density of the atoms accounted for by directional WHIM density MPEOE charge descriptors within a molecule
The total symmetry of the molecule represented by directional WHIM symmetry MPEOE charge descriptors
The shape of the molecule represented by directional WHIM shape MPEOE charge descriptors
The total dimension of a molecule represented by directional WHIM size MPEOE descriptors
The inverse of the kurtosis calculated by the fourth order moment of 1st principal component described by mass
mean information content on the symmetry along 3rd principal component covariance matrix weighted by mass of the molecule atomic coordinates
mean information content on the symmetry along 2nd principal component covariance matrix weighted by mass of the molecule atomic coordinates
mean information content on the symmetry along 1st principal component covariance matrix weighted by mass of the molecule atomic coordinates