User 8688ffe688
11-01-2008 01:11:53
We are using JChem-3.2.11 Oracle cartridge on Linux and have run into very poor performance when searching with Ala-Ala-Ala-Ala-Ala chain. See search results below:
SQL> select smiles from structure where jc_compare(smiles, 'CNC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:00:32.70
SQL> select smiles from structure where jc_compare(smiles, 'CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:02:28.05
SQL> select smiles from structure where jc_compare(smiles, 'CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:04:32.51
SQL> select smiles from structure where jc_compare(smiles, 'CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:04:34.74
Do you have any suggestions to improve search performanc?
SQL> select smiles from structure where jc_compare(smiles, 'CNC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:00:32.70
SQL> select smiles from structure where jc_compare(smiles, 'CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:02:28.05
SQL> select smiles from structure where jc_compare(smiles, 'CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:04:32.51
SQL> select smiles from structure where jc_compare(smiles, 'CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O', 't:e tautomerSearch:y stereoSearch:n') = 1;
no rows selected
Elapsed: 00:04:34.74
Do you have any suggestions to improve search performanc?