Package: chemmodlab
Type: Package
Title: A Cheminformatics Modeling Laboratory for Fitting and Assessing
        Machine Learning Models
Version: 2.0.0
Date: 2022-05-01
Authors@R: c(
    person("Jacqueline", "Hughes-Oliver", email = "hughesol@ncsu.edu", role = c("aut")),
    person("Jeremy", "Ash", email = "jrash@ncsu.edu", role = c("aut", "cre")), 
    person("Atina", "Brooks", email = "atina.brooks@alumni.ncsu.edu", role = c("aut"))
    )
Description: 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.
Depends: R (>= 3.6.0)
License: GPL-3
LazyData: TRUE
URL: https://github.com/jrash/ChemModLab
BugReports: https://github.com/jrash/ChemModLab/issues
Imports: KernSmooth, MSQC, class (>= 7.3.14), e1071 (>= 1.6.7),
        elasticnet (>= 1.1), lars(>= 1.2), MASS(>= 7.3.45), nnet(>=
        7.3.12), pROC(>= 1.8), randomForest(>= 4.6.12), rpart(>=
        4.1.10), tree (>= 1.0.37), pls (>= 2.5.0), caret (>= 6.0-71),
        stats, graphics, grDevices, utils, methods
RoxygenNote: 7.1.1
NeedsCompilation: no
Author: Jacqueline Hughes-Oliver [aut],
  Jeremy Ash [aut, cre],
  Atina Brooks [aut]
Maintainer: Jeremy Ash <jrash@ncsu.edu>
Suggests: knitr, rmarkdown, testthat, vdiffr (>= 0.3.0)
Encoding: UTF-8
Packaged: 2022-05-01 20:30:29 UTC; Jeremy Ash Local
Repository: CRAN
Date/Publication: 2022-05-01 23:30:02 UTC
Built: R 4.1.2; ; 2022-05-02 11:06:44 UTC; unix
