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User-friendly extensions of the DrugBank database v1.0

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@dhimmel dhimmel released this 04 Feb 18:17
· 6 commits to gh-pages since this release

DOI 10.5281/zenodo.45579

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.