webchem v1.1.1
0
Monthly downloads
Chemical Information from the Web
Chemical information from around the web. This package interacts
with a suite of web services for chemical information. Sources include: Alan
Wood's Compendium of Pesticide Common Names, Chemical Identifier Resolver,
ChEBI, Chemical Translation Service, ChemIDplus, ChemSpider, ETOX,
Flavornet, NIST Chemistry WebBook, OPSIN, PAN Pesticide Database, PubChem,
SRS, Wikidata.
Functions in webchem
Name | Description | |
cir_query | Query Chemical Identifier Resolver | |
cs_check_key | Retrieve ChemSpider API key | |
cs_convert | Convert identifiers using ChemSpider | |
aw_query | Query http://www.alanwood.net/pesticides/ | |
cs_compinfo | Retrieve record details by ChemSpider ID | |
cs_img | Download images from ChemSpider | |
cts_compinfo | Get record details from Chemical Translation Service (CTS) | |
cts_convert | Convert Ids using Chemical Translation Service (CTS) | |
is.cas | Check if input is a valid CAS | |
cts_from | Return a list of all possible ids | |
extractors | Extract parts from webchem objects | |
cs_extcompinfo | Get extended record details by ChemSpider ID | |
cs_datasources | Retrieve ChemSpider data sources | |
fn_percept | Retrieve flavor percepts from www.flavornet.org | |
find_db | Check data source coverage of compounds | |
is.inchikey_cs | Check if input is a valid inchikey using ChemSpider API | |
get_chebiid | Retrieve Lite Entity (identifiers) from ChEBI | |
is.inchikey_format | Check if input is a valid inchikey using format | |
get_wdid | Get Wikidata Item ID | |
get_etoxid | Get ETOX ID | |
cts_to | Return a list of all possible ids | |
etox_basic | Get basic information from a ETOX ID | |
is.inchikey | Check if input is a valid inchikey | |
parse_mol | Parse Molfile (as returned by ChemSpider) into a R-object. | |
pc_prop | Retrieve compound properties from a pubchem CID | |
opsin_query | OPSIN web interface | |
is.smiles | Check if input is a SMILES string | |
etox_targets | Get Quality Targets from a ETOX ID | |
etox_tests | Get Tests from a ETOX ID | |
pc_sect | Retrieve data from PubChem content pages | |
pc_synonyms | Search synonyms in pubchem | |
pan_query | Query the PAN Pesticide database | |
webchem-deprecated | Deprecated function(s) in the webchem package | |
nist_ri | Retrieve retention indices from NIST | |
lc50 | Acute toxicity data from U.S. EPA ECOTOX | |
with_cts | Auto-translate identifiers and search databases | |
jagst | Organic plant protection products in the river Jagst / Germany in 2013 | |
webchem | webchem: An R package to retrieve chemical information from the web. | |
get_csid | ChemSpider ID from compound name, formula, SMILES, InChI or InChIKey | |
srs_query | Get record details from U.S. EPA Substance Registry Servives (SRS) | |
ping_service | Ping an API used in webchem to see if it's working. | |
get_cid | Retrieve Pubchem Compound ID (CID) | |
webchem-defunct | Defunct function(s) in the webchem package | |
wd_ident | Retrieve identifiers from Wikidata | |
ci_query | Retrieve information from ChemIDPlus | |
cir_img | Query Chemical Identifier Resolver Images | |
as.cas | Format numbers as CAS numbers | |
chebi_comp_entity | Retrieve Complete Entity from ChEBI | |
cs_control | Control ChemSpider API requests | |
No Results! |
Vignettes of webchem
Name | ||
precompile.R | ||
webchem.Rmd | ||
No Results! |
Last month downloads
Details
Type | Package |
Date | 2021-02-07 |
License | MIT + file LICENSE |
URL | https://docs.ropensci.org/webchem/, https://github.com/ropensci/webchem |
BugReports | https://github.com/ropensci/webchem/issues |
LazyLoad | yes |
LazyData | yes |
Encoding | UTF-8 |
RoxygenNote | 7.1.1 |
VignetteBuilder | knitr |
NeedsCompilation | no |
Packaged | 2021-02-07 06:48:53 UTC; tomi |
Repository | CRAN |
Date/Publication | 2021-02-07 07:30:02 UTC |
imports | base64enc , data.tree , dplyr , httr , jsonlite , methods , purrr , rlang , rvest , stringr , tibble , xml2 |
suggests | covr , knitr , plot.matrix , rcdk , rmarkdown , robotstxt , testthat , usethis |
depends | R (>= 3.0) |
Contributors | Daniel Muench, Johannes Ranke, Jan Stanstrup, Robert Allaway, Eduard Sz<c3><b6>cs, Andreas Scharm<c3><bc>ller, Eric R Scott, Gordon Getzinger, Jo<c3><a3>o Vitor F Cavalcante |
Include our badge in your README
[](http://www.rdocumentation.org/packages/webchem)