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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; in revised form: 29 July 2002 / Accepted: 7 August 2002 / Published: 31 August 2002
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 WindowsTM based software that implements a previously published method of diversity calculation . 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.
Gangal R. DivCalc: A Utility for Diversity Analysis and Compound Sampling. Molecules. 2002; 7(8):657-661.
Gangal, Rajeev. 2002. "DivCalc: A Utility for Diversity Analysis and Compound Sampling." Molecules 7, no. 8: 657-661.