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.
Current Topics in Medicinal Chemistry
Title:The Use of the R Language for Medicinal Chemistry Applications
Volume: 12 Issue: 18
Author(s): Scot Mente and Max Kuhn
Affiliation:
Keywords: R, statistics, QSAR.
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.
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Cite this article as:
Mente Scot and Kuhn Max, The Use of the R Language for Medicinal Chemistry Applications, Current Topics in Medicinal Chemistry 2012; 12 (18) . https://dx.doi.org/10.2174/1568026611212180003
DOI https://dx.doi.org/10.2174/1568026611212180003 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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