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
2nd eigenvalue of the covariance matrix weighted by mass of the molecule atomic coordinates, which account for the molecular size
The total dimension of a molecule represented by directional WHIM size mass descriptors
3rd eigenvalue of the covariance matrix weighted by mass of the molecule atomic coordinates, which account for the molecular size
The shape of the molecule represented by directional WHIM shape mass descriptors
eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by mass
The total symmetry of the molecule represented by directional WHIM symmetry mass descriptors
eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by mass
The total density of the atoms accounted for by directional WHIM density mass descriptors within a molecule