DrugBank Release Notes — 5.0.0

This version brings our XML release format in line with the information that can be found on the www.drugbank.ca website.

If you plan on using DrugBank data commercially, please contact us at info@omx.io.

Current XML Schema Changes

Replaced Elements

This version introduces a new reference-list-type element type which includes structured data describing references to textbooks, web pages, and articles (typically from PubMed).

<xs:complexType name="article-type">
    <xs:sequence>
        <xs:element name="pubmed-id" type="xs:string"/>
        <xs:element name="citation" type="xs:string"/>
    </xs:sequence>
</xs:complexType>
<xs:complexType name="textbook-type">
    <xs:sequence>
        <xs:element name="isbn" type="xs:string"/>
        <xs:element name="citation" type="xs:string"/>
    </xs:sequence>
</xs:complexType>
<xs:complexType name="link-type">
    <xs:sequence>
        <xs:element name="title" type="xs:string"/>
        <xs:element name="url" type="xs:anyURI"/>
    </xs:sequence>
</xs:complexType>
<xs:complexType name="article-list-type">
    <xs:sequence>
        <xs:element maxOccurs="unbounded" minOccurs="0" name="article" type="article-type"/>
    </xs:sequence>
</xs:complexType>
<xs:complexType name="textbook-list-type">
    <xs:sequence>
        <xs:element maxOccurs="unbounded" minOccurs="0" name="textbook" type="textbook-type"/>
    </xs:sequence>
</xs:complexType>
<xs:complexType name="link-list-type">
    <xs:sequence>
        <xs:element maxOccurs="unbounded" minOccurs="0" name="link" type="link-type"/>
    </xs:sequence>
</xs:complexType>
<xs:complexType name="reference-list-type">
    <xs:sequence>
        <xs:element maxOccurs="1" minOccurs="1" name="articles" type="article-list-type">
            <xs:annotation>
                <xs:documentation>Articles are typically PubMed references, although there are some references which do not have a PubMed ID.</xs:documentation>
            </xs:annotation>
        </xs:element>
        <xs:element maxOccurs="1" minOccurs="1" name="textbooks" type="textbook-list-type"/>
        <xs:element maxOccurs="1" minOccurs="1" name="links" type="link-list-type"/>
    </xs:sequence>
</xs:complexType>

• <drug> elements now use reference-list-type elements for <general-references>
• <target> elements now use reference-list-type element for <references>

Additional Elements

• <pathway> elements now include a category element containing the name of the SMPDB category for that pathway.
• <drug> elements now include the following new elements:
  • <unii>: the unii associated with the drug
  • <average-mass>: the average-mass of small-molecule drugs
  • <monoisotopic-mass>: the monoisotopic mass of small-molecule drugs
  • <state>: one of solid, liquid, or gas
  • <pdb-entries>: a list of <pdb-entry> elements, each containing a pdb identifier for the drug
  • <fda-label>: a URI pointing to a copy of the FDA label for the drug
  • <msds>: a URI pointing to a copy of the material safety data sheet for the drug
• <drug-salt> elements now include the following new elements:
  • <unii>: the unii associated with the drug salt
  • <average-mass>: the average-mass of the drug salt
  • <monoisotopic-mass>: the monoisotopic mass of the drug salt
• <product> elements now include the following new elements
  • <labeller>: The name of the product labeller
• <manufacturer> elements now include the following new elements
  • <url>: a URL representing the manufacturer
• <patent> elements now include the following new elements:
  • <pediatric-extension>: a boolean indicating whether a pediatric exclusivity extension applies to the patent
• <external-identifiers> elements now include new identifiers. The <resource> element can now include the following new values:
  • ChEMBL
  • Therapeutic Targets database