Contains a set of methods for fitting models and methods for validating the resulting models. The statistical methodologies comprise a comprehensive collection of approaches whose validity and utility have been accepted by experts in the Cheminformatics field. As promising new methodologies emerge from the statistical and data-mining communities, they will be incorporated into the laboratory. These methods are aimed at discovering quantitative structure-activity relationships (QSARs). However, the user can directly input their own choices of descriptors and responses, so the capability for comparing models is effectively unlimited.
Package details |
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Author | Jacqueline Hughes-Oliver [aut], Jeremy Ash [aut, cre], Atina Brooks [aut] |
Maintainer | Jeremy Ash <jrash@ncsu.edu> |
License | GPL-3 |
Version | 2.0.0 |
URL | https://github.com/jrash/ChemModLab |
Package repository | View on GitHub |
Installation |
Install the latest version of this package by entering the following in R:
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