chemCal provides simple functions for plotting linear
calibration functions and estimating standard errors for measurements
according to the Handbook of Chemometrics and Qualimetrics: Part A
by Massart et al. There are also functions estimating the limit
of detection (LOD) and limit of quantification (LOQ).
The functions work on model objects from - optionally weighted - linear
regression (lm) or robust linear regression (rlm from the MASS package).

Calibration Functions for Analytical Chemistry
c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "jranke@uni-bremen.de"))
Simple functions for plotting linear
calibration functions and estimating standard errors for measurements
according to the Handbook of Chemometrics and Qualimetrics: Part A
by Massart et al. There are also functions estimating the limit
of detection (LOD) and limit of quantification (LOQ).
The functions work on model objects from - optionally weighted - linear
regression (lm) or robust linear regression ('rlm' from the 'MASS' package).

c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "jranke@uni-bremen.de",
comment = c(ORCID = "0000-0003-4371-6538")))
Johannes Ranke [aut, cre, cph]
(<https://orcid.org/0000-0003-4371-6538>)

MASS, knitr, testthat, investr, covr, rmarkdown
Simple functions for plotting linear
calibration functions and estimating standard errors for measurements
according to the Handbook of Chemometrics and Qualimetrics: Part A
by Massart et al. (1997) There are also functions estimating the limit
of detection (LOD) and limit of quantification (LOQ).
The functions work on model objects from - optionally weighted - linear
regression (lm) or robust linear regression ('rlm' from the 'MASS' package).

c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "johannes.ranke@jrwb.de",
comment = c(ORCID = "0000-0003-4371-6538")))

A Cheminformatics Modeling Laboratory for Fitting and Assessing
Machine Learning Models
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"))
)
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.
Jacqueline Hughes-Oliver [aut],
Jeremy Ash [aut, cre],
Atina Brooks [aut]