Distance based

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JCBalabanIndex

Returns the Balaban distance connectivity of the molecule, which is the average distance sum connectivity.

JCEccentricity

Returns the greatest value in the corresponding row of the distance matrix for each atom.

JCHararyIndex

Returns the half-sum of the off-diagonal elements of the reciprocal molecular distance matrix of the molecule.

JCHyperWienerIndex

Returns a variant of the Wiener index.

JCSzegedIndex

The Szeged index extends the Wiener index for cyclic graphs by counting the number of atoms on both sides of each bond (those atoms only which are nearer to the given side of the bond than to the other), and sum these counts.

JCWienerIndex

Returns the average topological atom distance (half of the sumof all atom distances) in the molecule.

 

You can find additional information about these functions here:

http://www.chemaxon.com/marvin/help/calculations/geometrygroup.html

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