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chem.databases  

Collection of 3 Chemical Databases from Public Sources
View on CRAN: Click here


Download and install chem.databases package within the R console
Install from CRAN:
install.packages("chem.databases")

Install from Github:
library("remotes")
install_github("cran/chem.databases")

Install by package version:
library("remotes")
install_version("chem.databases", "1.0.0")



Attach the package and use:
library("chem.databases")
Maintained by
Irucka Embry
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2023-09-21
Latest Update: 2023-09-21
Description:
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", ] combined with the Toxic Substances Control Act (TSCA) Inventory [United States Environmental Protection Agency (US EPA), "Toxic Substances Control Act (TSCA) Chemical Substance Inventory", ] 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", ] 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", ].
How to cite:
Irucka Embry (2023). chem.databases: Collection of 3 Chemical Databases from Public Sources. R package version 1.0.0, https://cran.r-project.org/web/packages/chem.databases. Accessed 15 Jul. 2026.
Previous versions and publish date:
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Complete documentation for chem.databases
Functions, R codes and Examples using the chem.databases R package
Some associated functions: atsdr_tsca_ld50_a . atsdr_tsca_ld50_b . chem.databases-package . chem_wiki . 
Some associated R codes: chem.databases-package.R . chem_wiki.R . data-atsdr_tsca_ld50_a.R . data-atsdr_tsca_ld50_b.R .  Full chem.databases package functions and examples
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