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usepa

httk:High-Throughput Toxicokinetics

Pre-made models that can be rapidly tailored to various chemicals and species using chemical-specific in vitro data and physiological information. These tools allow incorporation of chemical toxicokinetics ("TK") and in vitro-in vivo extrapolation ("IVIVE") into bioinformatics, as described by Pearce et al. (2017) (<doi:10.18637/jss.v079.i04>). Chemical-specific in vitro data characterizing toxicokinetics have been obtained from relatively high-throughput experiments. The chemical-independent ("generic") physiologically-based ("PBTK") and empirical (for example, one compartment) "TK" models included here can be parameterized with in vitro data or in silico predictions which are provided for thousands of chemicals, multiple exposure routes, and various species. High throughput toxicokinetics ("HTTK") is the combination of in vitro data and generic models. We establish the expected accuracy of HTTK for chemicals without in vivo data through statistical evaluation of HTTK predictions for chemicals where in vivo data do exist. The models are systems of ordinary differential equations that are developed in MCSim and solved using compiled (C-based) code for speed. A Monte Carlo sampler is included for simulating human biological variability (Ring et al., 2017 <doi:10.1016/j.envint.2017.06.004>) and propagating parameter uncertainty (Wambaugh et al., 2019 <doi:10.1093/toxsci/kfz205>). Empirically calibrated methods are included for predicting tissue:plasma partition coefficients and volume of distribution (Pearce et al., 2017 <doi:10.1007/s10928-017-9548-7>). These functions and data provide a set of tools for using IVIVE to convert concentrations from high-throughput screening experiments (for example, Tox21, ToxCast) to real-world exposures via reverse dosimetry (also known as "RTK") (Wetmore et al., 2015 <doi:10.1093/toxsci/kfv171>).

Maintained by John Wambaugh. Last updated 1 months ago.

comptoxord

10.2 match 27 stars 10.22 score 307 scripts 1 dependents

hadley

fueleconomy:EPA Fuel Economy Data

Fuel economy data from the EPA, 1985-2015, conveniently packaged for consumption by R users.

Maintained by Hadley Wickham. Last updated 5 years ago.

3.7 match 16 stars 6.30 score 176 scripts 2 dependents

ropenspain

MicroDatosEs:Utilities for Official Spanish Microdata

Provides utilities for reading and processing microdata from Spanish official statistics with R.

Maintained by Carlos J. Gil Bellosta. Last updated 1 years ago.

1.7 match 13 stars 4.04 score 17 scripts

iembry

chem.databases:Collection of 3 Chemical Databases from Public Sources

Contains the Multi-Species Acute Toxicity Database (CAS & SMILES columns only) [United States (US) Department of Health and Human Services (DHHS) National Institutes of Health (NIH) National Cancer Institute (NCI), "Multi-Species Acute Toxicity Database", <https://cactus.nci.nih.gov/download/acute-toxicity-db/>] combined with the Toxic Substances Control Act (TSCA) Inventory [United States Environmental Protection Agency (US EPA), "Toxic Substances Control Act (TSCA) Chemical Substance Inventory", <https://www.epa.gov/tsca-inventory/how-access-tsca-inventory} and <https://cdxapps.epa.gov/oms-substance-registry-services/substance-list-details/169>] and the Agency for Toxic Substances and Disease Registry (ATSDR) Database [United States (US) Department of Health and Human Services (DHHS) Centers for Disease Control and Prevention (CDC)/Agency for Toxic Substances and Disease Registry (ATSDR), "Agency for Toxic Substances and Disease Registry (ATSDR) Database", <https://cdxapps.epa.gov/oms-substance-registry-services/substance-list-details/105>] in 2 data sets. One data set has a focus on the latter 2 databases and one data set focuses on the former database. Also contains the collection of chemical data from Wikipedia compiled in the US EPA CompTox Chemicals Dashboard [United States Environmental Protection Agency (US EPA) / Wikimedia Foundation, Inc. "CompTox Chemicals Dashboard v2.2.1", <https://comptox.epa.gov/dashboard/chemical-lists/WIKIPEDIA>].

Maintained by Irucka Embry. Last updated 1 years ago.

1.0 match 1.70 score