webchem1.3.0 package

Format numbers as CAS numbers

Query https://pesticidecompendium.bcpc.org

Retrieve Complete Entity from ChEBI

Retrieve all ATC classes

Query ChEMBL using ChEMBL IDs

List ChEMBL Resources

Query Chemical Identifier Resolver Images

Query Chemical Identifier Resolver

Retrieve ChemSpider API key

Retrieve record details by ChemSpider ID

Control ChemSpider API requests

Convert identifiers using ChemSpider

Retrieve ChemSpider data sources

Get extended record details by ChemSpider ID

Download images from ChemSpider

Get record details from Chemical Translation Service (CTS)

Convert Ids using Chemical Translation Service (CTS)

Return a list of all possible ids

Return a list of all possible ids

Get basic information from a ETOX ID

Get Quality Targets from a ETOX ID

Get Tests from a ETOX ID

Extract parts from webchem objects

Check data source coverage of compounds

Retrieve flavor percepts from www.flavornet.org

Retrieve Lite Entity (identifiers) from ChEBI

Retrieve Pubchem Compound ID (CID)

ChemSpider ID from compound name, formula, SMILES, InChI or InChIKey

Get ETOX ID

Get Wikidata Item ID

Check if input is a valid CAS

Check if input is a valid inchikey

Check if input is a valid inchikey using ChemSpider API

Check if input is a valid inchikey using format

Check if input is a SMILES string

Retrieve retention indices from NIST

OPSIN web interface

Parse Molfile (as returned by ChemSpider) into a R-object.

Retrieve compound properties from a pubchem CID

Retrieve data from PubChem content pages

Search synonyms in pubchem

Ping an API used in webchem to see if it's working.

Get record details from U.S. EPA Substance Registry Servives (SRS)

Retrieve identifiers from Wikidata

Defunct function(s) in the webchem package

Deprecated function(s) in the webchem package

webchem: An R package to retrieve chemical information from the web.

Auto-translate identifiers and search databases

Export a Chemical Structure in .mol Format.