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Molecules 2002, 7(8), 657-661; doi:10.3390/70800657

DivCalc: A Utility for Diversity Analysis and Compound Sampling

SciNova Informatics, 161 Madhumanjiri Apartments, Lane 4, Dahanukar Colony, Kothrud, Pune, Maharashtra, India
Received: 1 July 2002 / Revised: 29 July 2002 / Accepted: 7 August 2002 / Published: 31 August 2002
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Diversity, in the form of genetic diversity, chemical diversity etc, is a very important concept in several areas of scientific research, and calculation of diversity is one of the most important considerations in pre-clinical drug discovery research and, in particular, in design of diverse chemical libraries for combinatorial chemistry and compound selection for High Throughput Screening (HTS). DivCalc is a WindowsTM based software that implements a previously published method of diversity calculation [1]. This facilitates sampling of a given data matrix to obtain the most diverse compounds that span the entire descriptor space.
Keywords: Diversity; dissimilarity; software; combinatorial chemistry; HTS; DISSIM Diversity; dissimilarity; software; combinatorial chemistry; HTS; DISSIM
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Gangal, R. DivCalc: A Utility for Diversity Analysis and Compound Sampling. Molecules 2002, 7, 657-661.

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