DivCalc: A Utility for Diversity Analysis and Compound Sampling

doi:10.3390/70800657

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

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DivCalc: A Utility for Diversity Analysis and Compound Sampling

Rajeev Gangal

SciNova Informatics, 161 Madhumanjiri Apartments, Lane 4, Dahanukar Colony, Kothrud, Pune, Maharashtra, India

Received: 1 July 2002; in revised form: 29 July 2002 / Accepted: 7 August 2002 / Published: 31 August 2002

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Abstract: 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 Windows^TMbased 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

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MDPI and ACS Style

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

AMA Style

Gangal R. DivCalc: A Utility for Diversity Analysis and Compound Sampling. Molecules. 2002; 7(8):657-661.

Chicago/Turabian Style

Gangal, Rajeev. 2002. "DivCalc: A Utility for Diversity Analysis and Compound Sampling." Molecules 7, no. 8: 657-661.

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