Suggests: MASS, knitr, testthat, investr

Suggests: MASS, knitr, testthat, investr, covr, rmarkdown
by Massart et al. (1997) There are also functions estimating the limit

Title: A Cheminformatics Modeling Laboratory for Fitting and Assessing
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.
stats, graphics, grDevices, utils, datasets, methods

Imports: fingerprint, rcdk, MSQC, class (>= 7.3.14), e1071 (>= 1.6.7),
stats, graphics, grDevices, utils, methods
Packaged: 2020-09-07 02:47:49 UTC; Jeremy Ash Local

Suggests: knitr, rmarkdown, testthat, vdiffr (>= 0.3.0)
Packaged: 2022-05-01 20:30:29 UTC; Jeremy Ash Local

Title: Analysing Chemodiversity of Phytochemical Data
person("Hampus", "Petrén", email = "hampus.petren@gmail.com",
person("Tobias G.", "Köllner", email = "koellner@ice.mpg.de",
person("Robert R.", "Junker", email = "robert.junker@uni-marburg.de",
Description: Quantify and visualise various measures of chemical diversity and
dissimilarity, for phytochemical compounds and other sets of chemical
composition data. Importantly, these measures can incorporate biosynthetic
and/or structural properties of the chemical compounds, resulting in a more
comprehensive quantification of diversity and dissimilarity.
Imports: jsonlite, httr, vegan, webchem, fmcsR, ChemmineR, hillR, ape,
GUniFrac, tidygraph, igraph, ggraph, ggplot2, gridExtra,
Author: Hampus Petrén [aut, cre] (<https://orcid.org/0000-0001-6490-4517>),
Tobias G. Köllner [aut] (<https://orcid.org/0000-0002-7037-904X>),