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. Non-constant errors can be taken into account using variance by variable or two-component error models <doi:10.3390/environments6120124>. Hierarchical degradation models can be fitted using nonlinear mixed-effects model packages as a back end <doi:10.3390/environments8080071>. Please note that no warranty is implied for correctness of results or fitness for a particular purpose.

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degradationfocus-kineticskinetic-modelskineticsodeode-model

7.54 score 12 stars 1 dependents 69 scripts 294 downloads

srppp - 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.

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6.23 score 1 dependents 22 scripts 176 downloads

chemCal - 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).

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6.05 score 7 stars 64 scripts 336 downloads

srppphist - Historical Data from the Swiss Register of Plant Protection Products as an R Package

Data objects extracted from historical XML versions of the Swiss Register of Plant Protection Products 'SRPPP'. Starting from 2011, one such data object is contained for each year. Note that the information contained in this project is outdated. An online version of the current register can be accessed via <https://www.psm.admin.ch/de/produkte>. An XML dump of the current register can be read in using the 'srppp' package. There is no guarantee of correspondence of the data contained in or read in using this package with any 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.

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3.95 score 4 scripts

OpenFoodTox - 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>.

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3.18 score 1 stars 2 scripts

chents - 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.

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2.70 score 2 stars 5 scripts

pfm - Utilities for Pesticide Fate Modelling

Utilities for simple calculations of predicted environmental concentrations ('PEC' values) and for dealing with data from some FOCUS pesticide fate modelling software packages.

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2.56 score 1 stars 12 scripts