DrugBank Release Notes
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This export was originally created on Jan 1 2020, and contained invalid XML in the complete database XML file. This issue was corrected on Jan 3.
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This release includes a change to the XML data and schema:
- The DrugBank accession number for salts (now termed product ingredients) can now point to a drug (active moiety) entry.
- Drug products from the EMA (European Medical Association) are now included in the export.
Some of the structures in the previous release were invalid, this has been corrected in 5.0.11.
This release includes a new dataset, Structure External Links. The structure external links datasets are CSV files which include structure information in the form of InChI/InChI Key/SMILES as well as identifiers for other drug-structure resources (such as ChEBI, ChEMBL, etc.). Included in each dataset is also the PubChem Compound ID (CID) and the particular PubChem Substance ID (SID) for the given DrugBank record.
This release also includes an update to the PubChem SIDs based on the latest deposition.
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Fixes
- fixes missing header in the full database xml file
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Fixes
- This release fixes a bug in the Target Sequences exports (FASTA format). Specifically, there were some missing DrugBank IDs for protein/gene sequences in the FASTA headers. If you are using version 5.0.0 to 5.0.2, please upgrade to this version as soon as possible.
- This version also includes a fix for duplicate drug-drug interactions. Each drug pair will now only include a single drug interaction description.
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