Creating and Manipulating Graphsim Domain IndexesΒΆ

To create a graphsim path fingerprint index on a varchar2 column containing SMILES use:

create index graphsim_index on nci_open(smiles)
       indextype is c$arnachm1.graphsimIndexType;

As shown for structure indexes, graphsim indexes may also be built for CLOB columns containing MDL MOL blocks and BLOB columns containing OEBinary arrays.

To create an index with lingo, maccs166 and path based fingerprints use:

create index graphsim_index on nci_open(smiles)
       indextype is c$arnachm1.graphsimIndexType parameters ('lingo maccs166 path');

To create an index on a remote RMI server use:

create index graphsim_index on nci_open(smiles)
       indextype is c$arnachm1.graphsimIndexType parameters ('rmi_hostname:name_of_remote_host');

Any of the OEFPType fingerprints may be used in the parameters string. The first fingerprint listed is the default fingerprint.

Creating an index may require minutes for 260K structures. The index will have to be created prior to running the following commands.

To commit the change log table (emptying the change log table for the index) use:

alter index graphsim_index rebuild;

To completely rebuild the index (deleting the current change log table and cached fingerprints then rebuilding those fingerprints) use:

alter index graphsim_index rebuild parameters('full');

To load the index into the RMI server memory use:

alter index graphsim_index parameters('load');

To unload/remove the index from the memory of the RMI server use:

alter index graphsim_index parameters('unload');

The index will automatically adjust during column renames, table renames and table truncates. To delete the index use:

drop index graphsim_index;

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Graphsim Index Type

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Using Graphsim Domain Operators