Next Article in Journal
NMR Detection of Isomers Arising from Restricted Rotation of the C-N Amide Bond of N-Formyl-o-toluidine and N,N’-bis-Formyl-o-tolidine
Previous Article in Journal
2,3-Bifunctionalized Quinoxalines: Synthesis, DNA Interactions and Evaluation of Anticancer, Anti-tuberculosis and Antifungal Activity
Molecules 2002, 7(8), 657-661; doi:10.3390/70800657
Article

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
View Full-Text   |   Download PDF [187 KB, uploaded 18 June 2014]   |  

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 [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 3.0).
SciFeed

Share & Cite This Article

Further Mendeley | CiteULike
Export to BibTeX |
EndNote |
RIS
MDPI and ACS Style

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

View more citation formats

Related Articles

Article Metrics

For more information on the journal, click here

Comments

[Return to top]
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert