Software Open Access

User-friendly extensions of the DrugBank database v1.0

Daniel S. Himmelstein

This repository provides user-friendly extensions to DrugBank 4.2 (downloaded on 2015-03-19). Features include storing data as user-friendly TSV files, creating a slim drug set with approved small molecules that contain InChI structures, computing chemical similarities between compounds, and mapping DrugBank to other chemical vocabularies.

Files (95.1 MB)
Name Size
95.1 MB Download


Cite as