molinfo

A tiny service providing information about molecules.

It is fast, and provides client side and server side caching, it also compresses with gzip, providing blazing fast responses.

How to use

You need Docker (and docker-compose) installed then:

docker-compose up

You now have a service on the port 8042 that can answer to queries like:

http://127.0.0.1:8042/molecule/smiles/CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl.svg

Currently supported endpoints

• /molecule/smiles/{smiles}.svg
• /molecule/smiles/{smiles}/inchikey
• /molecule/smiles/{smiles}/exactmass
• /molecule/smiles/{smiles}/averagemass

What's next

• more molecular properties
• …