maxHitCount in cartridge structure search

User 8139ea8dbd

23-05-2008 03:18:17

When the number of matches exceed maxHitCount, jc_compare may return more records than maxHitCount. In the following SQL, we sometimes got 5001, or 5002, or 5003. This is not a big deal, however, it would be nice if jc_compare returns no more than 5000, if we set maxHitCount to 5000. I guess this is fairly straightfoward to patch?





SELECT count(distinct CPD_SID) FROM LDDB_WAREHOUSE.STRUCTURE WHERE jc_compare(jc_smiles,


'


Marvin 05220814552D





13 14 0 0 0 0 999 V2000


lWyVBrzV60


NG+Ver+V60


NG+VYs0W60


lWyV-s1W60


6nwVYs0W60


6nwVer+V70


000W-s1W80


fl1WYs0W60


fl1Wer+V60


HV3WBrzV60


wE5Wer+V60


wE5WYs0W60


HV3W-s1W60


10201


20301


30401


40501


50601


10601


30701


70801


80904


90A04


A0B04


B0C04


C0D04


80D04


M END


'


,'t:s stereoSearch:n maxHitCount:5000')=1;

ChemAxon 9c0afc9aaf

23-05-2008 09:40:12

Hi,





Could let us know your JChem version please ?





Best regards,





Szilard

User 8139ea8dbd

23-05-2008 21:50:58

5.0.3, the latest version.

ChemAxon aa7c50abf8

25-05-2008 21:28:15

This problem will be fixed in the next JChem release (5.0.5) scheduled for June 18 (Wednesday) .

ChemAxon aa7c50abf8

26-05-2008 17:22:57

Sorry, I was too quick to promise a fix for this problem. Szilard will let you know when a fix will be available.

ChemAxon 9c0afc9aaf

27-05-2008 10:06:39

Hi,





The fix will be present next JChem release (5.0.5), as previously stated.





Best regards,





Szilard

ChemAxon aa7c50abf8

01-07-2008 21:13:51

JChem 5.0.6 including the fix has been released.