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Added CHEMBLxxx id's in the CHEMINF syntax

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1 parent 667bd40 commit 0f554dac4e1bdda2dcf91f85e7b01e1d69762fec @egonw committed May 1, 2012
Showing with 12 additions and 0 deletions.
  1. +4 −0 assays.php
  2. +4 −0 compounds.php
  3. +4 −0 targets.php
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4 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
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4 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
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4 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'] );

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