1st eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size

The total density of the atoms accounted for by directional WHIM density mass descriptors within a molecule

The total symmetry of the molecule represented by directional WHIM symmetry mass descriptors

The total dimension of a molecule represented by directional WHIM size mass descriptors

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

mean information content on the symmetry along 3rd principal component using the covariance matrix of the molecule atomic coordinates

mean information content on the symmetry along 2nd principal component using the covariance matrix of the molecule atomic coordinates

mean information content on the symmetry along 1st principal component using the covariance matrix of the molecule atomic coordinates

eigenvalue ratio of 3rd direction WHIM size descriptor and sum of directional WHIM size descriptors using eigenvalue of the covariance matrix of the molecule atomic coordinates