Book of Abstracts, 215th ACS National Meeting, Dallas, March 29-April 2 (1998), COMP-180. Publisher: American Chemical Society, Washington, D. C. CODEN: 65QTAA. Conference; Meeting Abstract written in English. CA 1998:139376

Molecular diversity assessment and information theory

Lin, Shu-Kun.

Molecular Diversity Preservation International (MDPI), Sangergasse 25, Basel, CH-4054, Switzerland


A new pairwise similarity formula has been defined and used for mol. diversity assessment based on a novel method. It is demonstrated here that the logarithmic relations of entropy and indistinguishability give the expected diversity values which decrease with the increase in species similarities. The calcn. by Agrafiotis would be successful if the present pairwise similarity is used.