Automatically annotate drugs for their targets

Question

[yura.grabovska]

Hi, I have a large list of drugs from a high throughput screen but not all the drugs have been annotated for their function/target. Is there any way to (semi-)automatically annotate the list without having do to hundreds of google searches?

Answer 1

[Zhilong Jia]

use drugbank database to annotate your drugs. you should pay attention to your input. Drug names are not good input in general.

Update: Other unique features of drugs, like CAS, PubChem CID, should be better. dbparser is a good package to parse drugbank db.

[yura.grabovska]

Thanks I have applied for a DrugBank account. I plan to implement a fuzzy match. If I come up with something half-decent will share here.