The first version of the Cheméo API is available. This is a
REST API and it is very easy to use it. You basically issue a
GET request against the Cheméo API and you
get a JSON formatted message as response.
At the moment, the available tools are:
- conversion of from a name, SMILES, InChI, InChI key and Cheméo ID to another format.
- generation of the structure of molecule from its name using the IUPAC rules.
- property prediction using the Joback, Abraham and McGowan, and, Crippen methods.
The access to the API is free and the Cheméo API is fully documented.
Update: You can now run a search against the database, for example, using the command line on a Linux/OSX system:
curl -X GET "https://www.chemeo.com/api/v1/search?q=methane"
Learn more about the search API.