Added CHEMBLxxx id's in the CHEMINF syntax

egonw · May 1, 2012 · 0f554da · 0f554da
1 parent 667bd40
commit 0f554da
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Showing 3 changed files with 12 additions and 0 deletions.
diff --git a/assays.php b/assays.php
@@ -28,6 +28,10 @@
   echo data_triple( $assay, $RDFS . "label", $row['chembl_id'] );
   echo triple( $chembl, $OWL . "equivalentClass", $assay );
   echo triple( $assay, $OWL . "equivalentClass", $chembl );
+  $chemblChemInfRes = $chembl . "/chemblid";
+  echo triple($chembl, $CHEMINF . "CHEMINF_000200", $chemblChemInfRes);
+  echo triple($chemblChemInfRes, $RDF . "type", $CHEMINF . "CHEMINF_000412");
+  echo data_triple($chemblChemInfRes, $CHEMINF . "SIO_000300", $row['chembl_id']);
 
   if ($row['description']) {
     # clean up description

diff --git a/compounds.php b/compounds.php
@@ -54,6 +54,10 @@
     echo triple( $chembl, $OWL . "equivalentClass", $molecule );
     echo triple( $molecule, $OWL . "equivalentClass", $chembl );
     echo data_triple( $molecule, $RDFS . "label", $chebiRow['chembl_id'] );
+    $chemblChemInfRes = $chembl . "/chemblid";
+    echo triple($chembl, $CHEMINF . "CHEMINF_000200", $chemblChemInfRes);
+    echo triple($chemblChemInfRes, $RDF . "type", $CHEMINF . "CHEMINF_000412");
+    echo data_triple($chemblChemInfRes, $CHEMINF . "SIO_000300", $chebiRow['chembl_id']);
   }
 
   # get the structure information

diff --git a/targets.php b/targets.php
@@ -29,6 +29,10 @@
   echo triple( $chembl, $OWL . "equivalentClass", $target );
   echo triple( $target, $OWL . "equivalentClass", $chembl );
   echo data_triple( $target, $RDFS . "label", $row['chembl_id'] );
+  $chemblChemInfRes = $chembl . "/chemblid";
+  echo triple($chembl, $CHEMINF . "CHEMINF_000200", $chemblChemInfRes);
+  echo triple($chemblChemInfRes, $RDF . "type", $CHEMINF . "CHEMINF_000412");
+  echo data_triple($chemblChemInfRes, $CHEMINF . "SIO_000300", $row['chembl_id']);
 
   if ($row['organism'])
     echo data_triple( $target, $ONTO . "organism", $row['organism'] );