Difference between revisions of "DrugBank MITAB2.6 File Format"
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Although MITAB2.6 is used by iRefIndex (as described in the [[README_MITAB2.6_for_iRefIndex_8.0|format documentation]]), certain elements of that extended format are not directly applicable to DrugBank data, whereas other elements (such as a general checksum for an interactor) are applicable but not directly equivalent to the kind of data provided by iRefIndex: although a drug may have an InChIKey - a form of checksum or hash of the chemical structure of the drug - it is not equivalent or directly comparable to the ROG (redundant object group) employed by iRefIndex. | Although MITAB2.6 is used by iRefIndex (as described in the [[README_MITAB2.6_for_iRefIndex_8.0|format documentation]]), certain elements of that extended format are not directly applicable to DrugBank data, whereas other elements (such as a general checksum for an interactor) are applicable but not directly equivalent to the kind of data provided by iRefIndex: although a drug may have an InChIKey - a form of checksum or hash of the chemical structure of the drug - it is not equivalent or directly comparable to the ROG (redundant object group) employed by iRefIndex. | ||
| + | |||
| + | == Format Summary == | ||
| + | |||
| + | {| border="1" cellspacing="0" cellpadding="5" style="margin: 2em" | ||
| + | ! Field | ||
| + | ! Description | ||
| + | |- | ||
| + | | uidA | ||
| + | | DrugBank identifier in the form <tt>DrugBank:DB00123</tt> | ||
| + | |- | ||
| + | | uidB | ||
| + | | For proteins: the given UniProt identifiers<br>For drugs: see uidA | ||
| + | |- | ||
| + | | altA | ||
| + | | DrugBank secondary accessions in the form <tt>drugbank:APRD00123</tt> (compatible with [http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=MI&termId=MI%3A2002&termName=drugbank MI:2002])<br>InChIKey values of the form <tt>MSTNYGQPCMXVAQ-KIYNQFGBSA-N</tt><br>External identifiers for the drug | ||
| + | |- | ||
| + | | altB | ||
| + | | For proteins: external identifiers other than UniProt identifiers<br>For drugs: see altA | ||
| + | |} | ||
Revision as of 19:05, 27 January 2011
Last edited: 2011-01-27
Description
This document describes usage of the PSI-MITAB2.6 format in order to represent the drug-protein and drug-drug interactions provided by DrugBank in a form suitable for consumption by MITAB-aware tools and services such as MITAB parsers and PSICQUIC Web services.
Although MITAB2.6 is used by iRefIndex (as described in the format documentation), certain elements of that extended format are not directly applicable to DrugBank data, whereas other elements (such as a general checksum for an interactor) are applicable but not directly equivalent to the kind of data provided by iRefIndex: although a drug may have an InChIKey - a form of checksum or hash of the chemical structure of the drug - it is not equivalent or directly comparable to the ROG (redundant object group) employed by iRefIndex.
Format Summary
| Field | Description |
|---|---|
| uidA | DrugBank identifier in the form DrugBank:DB00123 |
| uidB | For proteins: the given UniProt identifiers For drugs: see uidA |
| altA | DrugBank secondary accessions in the form drugbank:APRD00123 (compatible with MI:2002) InChIKey values of the form MSTNYGQPCMXVAQ-KIYNQFGBSA-N External identifiers for the drug |
| altB | For proteins: external identifiers other than UniProt identifiers For drugs: see altA |
