This page is part of the Pharmaceutical Quality - Chemistry, Manufacturing and Controls (PQ-CMC) Submissions to FDA (v1.0.0-ballot: STU1 Ballot 1) based on FHIR (HL7® FHIR® Standard) v5.0.0. . For a full list of available versions, see the Directory of published versions

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: Chemical Structure Data File Type Terminology - XML Representation

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<ValueSet xmlns="http://hl7.org/fhir">
  <id value="pqcmc-chemical-structure-datafile-type-terminology"/>
  <text>
    <status value="generated"/>
    <div xmlns="http://www.w3.org/1999/xhtml"><ul><li>Include these codes as defined in <a href="CodeSystem-cmc-ncit-dummy.html"><code>http://hl7.org/fhir/us/pq-cmc-fda/CodeSystem/cmc-ncit-dummy</code></a><table class="none"><tr><td style="white-space:nowrap"><b>Code</b></td><td><b>Display</b></td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C54683">C54683</a></td><td>InChI File (small molecule)</td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C133997">C133997</a></td><td>mmCIF (large molecules)</td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C133910">C133910</a></td><td>MOLFILE</td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C49039">C49039</a></td><td>PDB</td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C133996">C133996</a></td><td>SDF</td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C54684">C54684</a></td><td>SMILES</td></tr><tr><td><a href="CodeSystem-cmc-ncit-dummy.html#cmc-ncit-dummy-C85435">C85435</a></td><td>SVG</td></tr></table></li></ul></div>
  </text>
  <extension
             url="http://hl7.org/fhir/StructureDefinition/structuredefinition-wg">
    <valueCode value="brr"/>
  </extension>
  <url
       value="http://hl7.org/fhir/us/pq-cmc-fda/ValueSet/pqcmc-chemical-structure-datafile-type-terminology"/>
  <identifier>
    <system value="urn:ietf:rfc:3986"/>
    <value value="urn:oid:2.16.840.1.113883.4.642.40.36.48.5"/>
  </identifier>
  <version value="1.0.0-ballot"/>
  <name value="PqcmcChemicalStructureDataFileTypeTerminology"/>
  <title value="Chemical Structure Data File Type Terminology"/>
  <status value="active"/>
  <experimental value="false"/>
  <date value="2024-04-08T17:51:06+00:00"/>
  <publisher value="HL7 International / Biomedical Research and Regulation"/>
  <contact>
    <name value="HL7 International / Biomedical Research and Regulation"/>
    <telecom>
      <system value="url"/>
      <value value="http://www.hl7.org/Special/committees/rcrim"/>
    </telecom>
    <telecom>
      <system value="email"/>
      <value value="brr@lists.HL7.org"/>
    </telecom>
  </contact>
  <description
               value="Terminology used to qualify the information pertaining to chemical structure data file types in the framework of the Pharmaceutical Quality/Chemistry, Manufacturing and Controls documents."/>
  <jurisdiction>
    <coding>
      <system value="urn:iso:std:iso:3166"/>
      <code value="US"/>
      <display value="United States of America"/>
    </coding>
  </jurisdiction>
  <compose>
    <include>
      <system
              value="http://hl7.org/fhir/us/pq-cmc-fda/CodeSystem/cmc-ncit-dummy"/>
      <concept>
        <code value="C54683"/>
        <display value="InChI File (small molecule)"/>
      </concept>
      <concept>
        <code value="C133997"/>
        <display value="mmCIF (large molecules)"/>
      </concept>
      <concept>
        <code value="C133910"/>
        <display value="MOLFILE"/>
      </concept>
      <concept>
        <code value="C49039"/>
        <display value="PDB"/>
      </concept>
      <concept>
        <code value="C133996"/>
        <display value="SDF"/>
      </concept>
      <concept>
        <code value="C54684"/>
        <display value="SMILES"/>
      </concept>
      <concept>
        <code value="C85435"/>
        <display value="SVG"/>
      </concept>
    </include>
  </compose>
</ValueSet>