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.

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drugbank-v1.0.zip
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Publication date:
February 4, 2016
DOI:
10.5281/zenodo.45579

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Keyword(s):
DrugBank Compounds Drugs Chemical Similarity
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