Virtual Computational Chemistry Laboratory

Software Groups of Indices Contributor


Eigenvalue-based indices

Topological descriptors calculated by the eigenvalues of a square (usually symmetric) matrix representing a molecular graph.


N

RelNo

Symbol

Name

References

5831LP1Lovasz-Pelikan index (leading eigenvalue)

Lovasz, L. & Pelikan, J.,
Period. Math. Hung.,
(1973), 3,175-182.

5842Eig1ZLeading eigenvalue from Z weighted distance matrix (Barysz matrix)

Balaban, A.T, Ciubotariu, D.
& Medeleanu, M.,
J.Chem. inf. Comput. Sci.,  
(1991) , 31,517-523.

5853Eig1mLeading eigenvalue from mass weighted distance matrix
5864Eig1vLeading eigenvalue from van der Waals weighted distance matrix
5875Eig1eLeading eigenvalue from electronegativity weighted distance matrix
5886Eig1pLeading eigenvalue from polarizability weighted distance matrix
5897SEigZEigenvalue sum from Z weighted distance matrix (Barysz matrix)
5908SEigmEigenvalue sum from mass weighted distance matrix
5919SEigvEigenvalue sum from van der Waals weighted distance matrix
59210SEigeEigenvalue sum from electronegativity weighted distance matrix
59311SEigpEigenvalue sum from polarizability weighted distance matrix
59412AEigZAbsolute eigenvalue sum from Z weighted distance matrix (Barysz matrix)
59513AEigmAbsolute eigenvalue sum from mass weighted distance matrix
59614AEigvAbsolute eigenvalue sum from van der Waals weighted distance matrix
59715AEigeAbsolute eigenvalue sum from electronegativity weighted distance matrix
59816AEigpAbsolute eigenvalue sum from polarizability weighted distance matrix
59917VEA1eigenvector coefficient sum from adjacency matrix
60018VEA2average eigenvector coefficient sum from adjacency matrix
60119VRA1Randic-type eigenvector-based index from adjacency matrix
60220VRA2average Randic-type eigenvector-based index from adjacency matrix
60321VED1eigenvector coefficient sum from distance matrix
60422VED2average eigenvector coefficient sum from distance matrix
60523VRD1Randic-type eigenvector-based index from distance matrix
60624VRD2average Randic-type eigenvector-based index from distance matrix
60725VEZ1eigenvector coefficient sum from Z weighted distance matrix (Barysz matrix)
60826VEZ2average eigenvector coefficient sum from Z weighted distance matrix (Barysz matrix)
60927VRZ1Randic-type eigenvector-based index from Z weighted distance matrix (Barysz matrix)
61028VRZ2average Randic-type eigenvector-based index from Z weighted distance matrix (Barysz matrix)
61129VEm1eigenvector coefficient sum from mass weighted distance matrix
61230VEm2average eigenvector coefficient sum from mass weighted distance matrix
61331VRm1Randic-type eigenvector-based index from mass weighted distance matrix
61432VRm2average Randic-type eigenvector-based index from mass weighted distance matrix
61533VEv1eigenvector coefficient sum from van der Waals weighted distance matrix
61634VEv2average eigenvector coefficient sum from van der Waals weighted distance matrix
61735VRv1Randic-type eigenvector-based index from van der Waals weighted distance matrix
61836VRv2average Randic-type eigenvector-based index from van der Waals weighted distance matrix
61937VEe1eigenvector coefficient sum from electronegativity weighted distance matrix
62038VEe2average eigenvector coefficient sum from electronegativity weighted distance matrix
62139VRe1Randic-type eigenvector-based index from electronegativity weighted distance matrix
62240VRe2average Randic-type eigenvector-based index from electronegativity weighted distance matrix
62341VEp1eigenvector coefficient sum from polarizability weighted distance matrix
62442VEp2average eigenvector coefficient sum from polarizability weighted distance matrix
62543VRp1Randic-type eigenvector-based index from polarizability weighted distance matrix
62644VRp2average Randic-type eigenvector-based index from polarizability weighted distance matrix
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