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 datamining communities, they will be incorporated into the laboratory. These methods are aimed at discovering quantitative structureactivity 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 


Author  Jacqueline HughesOliver [aut], Jeremy Ash [aut, cre], Atina Brooks [aut] 
Maintainer  Jeremy Ash <jrash@ncsu.edu> 
License  GPL3 
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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