We perform ClassyFire requests on a regular basis and already have proprietary code for this. However, we would prefer to use a common solution for this and this repo seems great for this purpose.
We fetch and use more information from ClassyFire compared to your solution, namely
The structure encoded by InChI, SMILES, and InChIKey
Identified and predicted ChEBI IDs
CHEMONT name and CHEMONT ID of the main class (e.g. 'Organic compounds; Lignans, neolignans' and related compounds and 'CHEMONTID:0000000; CHEMONTID:0001392')
CHEMONT names and CHEMONT IDs of the alternative parents
Substituent names
Is it an option for you to have all these properties in the result of your package?
We perform ClassyFire requests on a regular basis and already have proprietary code for this. However, we would prefer to use a common solution for this and this repo seems great for this purpose.
We fetch and use more information from ClassyFire compared to your solution, namely
Is it an option for you to have all these properties in the result of your package?