mkin - Kinetic Evaluation of Chemical Degradation Data
Calculation routines based on the FOCUS Kinetics Report (2006, 2014). Includes a function for conveniently defining differential equation models, model solution based on eigenvalues if possible or using numerical solvers. If a C compiler (on windows: 'Rtools') is installed, differential equation models are solved using automatically generated C functions. Heteroscedasticity can be taken into account using variance by variable or two-component error models as described by Ranke and Meinecke (2018) <doi:10.3390/environments6120124>. Hierarchical degradation models can be fitted using nonlinear mixed-effects model packages as a back end as described by Ranke et al. (2021) <doi:10.3390/environments8080071>. Please note that no warranty is implied for correctness of results or fitness for a particular purpose.
Last updated 3 months ago
degradationfocus-kineticskinetic-modelskineticsodeode-model
7.89 score 10 stars 1 packages 74 scripts 962 downloadschemCal - Calibration Functions for Analytical Chemistry
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).
Last updated 2 days ago
6.34 score 6 stars 49 scripts 774 downloadssrppp - Read the Swiss Register of Plant Protection Products
Generate data objects from XML versions of the Swiss Register of Plant Protection Products. An online version of the register can be accessed at <https://www.psm.admin.ch/de/produkte>. There is no guarantee of correspondence of the data read in using this package with that online version, or with the original registration documents. Also, the Federal Food Safety and Veterinary Office, coordinating the authorisation of plant protection products in Switzerland, does not answer requests regarding this package.
Last updated 1 days ago
5.86 score 1 packages 12 scripts 257 downloadsOpenFoodTox - EFSA OpenFoodTox Data Made Accessible as an R Package
Provides convenient access to data extracted from some of the spreadsheet files made available by the chemical hazards database of the European Food Safety Authority (EFSA), accessible via <https://www.efsa.europa.eu/en/data-report/chemical-hazards-database-openfoodtox>.
Last updated 4 months ago
3.60 score 1 stars 2 scriptschents - Chemical Entities as R Objects
Utilities for dealing with chemical entities and associated data as R objects. If Python and RDKit (> 2015.03) are installed and configured for use with 'reticulate', some basic chemoinformatics functions like the calculation of molecular weight and plotting of chemical structures in R graphics are available.
Last updated 4 months ago
2.70 score 2 stars 2 scripts