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Molecular Diversity Assessment: Calculation
Published: 01 September 1997 by MDPI in The 1st International Electronic Conference on Synthetic Organic Chemistry session Information and Compound Archives Management
Abstract: A new pairwise similarity formula has been defined and used for molecular 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 calculation by Agrafiotis would be successful if the present pairwise similarity is used.
Keywords: Species diversity, entropy, similarity, diversity calculation