Similarity of Molecular Descriptors: the Equivalence of Zagreb Indices and Walk Counts
نویسندگان
چکیده
The similarity of 608 molecular descriptors (including topological and geometrical indices) is measured using correlation coefficients. The computations are based on a library of 10946 diverse compounds. As a result, the second Zagreb index M2 and mwc, the molecular walk count of length 3, were found and proven to be affine dependent: mwc = 2M2.
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