The Use of the R Language for Medicinal Chemistry Applications

Author(s): Scot Mente, Max Kuhn

Journal Name: Current Topics in Medicinal Chemistry

Volume 12 , Issue 18 , 2012

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Abstract:

This manuscript serves as a review of how the R language has been used in the last decade to address problems related to medicinal chemistry design. This includes the use of the R language for chemoinformatics applications and interfaces, as well as statistical modeling for ADMET and potency endpoints. Additionally, a few examples of R code are provided to demonstrate the ability of this language to make available cutting-edge statistical analysis to the medicinal chemistry design community.

Keywords: R, statistics, QSAR.

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Article Details

VOLUME: 12
ISSUE: 18
Year: 2012
Page: [1957 - 1964]
Pages: 8
DOI: 10.2174/1568026611212180003
Price: $65

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