The Chemistry Cartridge adds the SIMILAR operator to SQL. When applied to a SMILES-containing column, rows containing structures which are similar to a given structure are selected. The binary Tanimoto coefficient is used for similarity determination: a value of 1.0 means "identical", 0.0 means "completely dissimliar". The level of similarity to be required is user-adjustable. At high levels (~0.8 or more), this is a fast, robust search type. At low levels (~0.65 or less), the results are not meaningful and result in large answer sets. Other examples are also available.

O=C1CN(N=Cc2ccc(o2)N(=O)=O)C(=O)N1

TO_CHAR(SYSDATE,'MM:
--------------------
10:21:1998, 05:31:41

Elapsed: 00:00:00.01
old   2: where Similar(smiles,'&1',&2,1)=1
new   2: where Similar(smiles,'O=C1CN(N=Cc2ccc(o2)N(=O)=O)C(=O)N1',0.9,1)=1

     ID SMILES
------- --------------------------------------
  78432 [O-][N+](=O)c1ccc(C=NN2CC(=O)NC2=O)o1

Elapsed: 00:00:00.93

TO_CHAR(SYSDATE,'MM:
--------------------
10:21:1998, 05:31:42