Implement connector to CACTUS

ceabiodb / biodb

An R package framework for accessing biological and chemical databases and developing or extending new connectors.

GNU Affero General Public License v3.0

11 stars 2 forks source link

Implement connector to CACTUS #373

Closed pkrog closed 4 years ago

pkrog commented 5 years ago

See :

CACTUS.
Chemical Identifier Resolver documentation.
Chemical Identifier Resolver.

pkrog commented 5 years ago

@ethevenot You can look at vignettes chebi and cactus. You will find functions to convert from and to InChI and InChI keys. Cactus gives more results when concerting from CAS, but you should mix results from both CACTUS and ChEBI.