Abstract: MATH/CHEM/COMP 2002, Dubrovnik,
June 24-29, 2002
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ON AUTOCORRELATION DESCRIPTOR
Boris Hollas Department of
Theoretical Informatics, University of Ulm, Oberer Eselberg, D-89069 Ulm, Germany We discuss properties
of the autocorrelation descriptor, a topological descriptor encoding both molecular
structure and physico-chemical properties of a molecule. We introduce two
random graph models for molecules and show that this descriptor may exhibit
unwanted |