User 5adfeb8d26
18-06-2009 10:29:47
Hi,
I'm using PLP to extract structures from some Word documents using the Scitegic Embedded Molecules Reader then inserting into a JChem Base table (structures). However, some of the extracted items are markush so I need a way of detecting this and re-directing the insert into a different (markush) table.
Can you help ?
Thanks
Luke
ChemAxon e08c317633
19-06-2009 11:46:21
Hi Luke,
We will add an isMarkush() Chemical Terms fuction to JChem, that will help identifying Markush structures. My colleague will explain in details how this function can be used in Pipeline Pilot.
Zsolt
ChemAxon 9c0afc9aaf
20-06-2009 01:39:21
Hi,
You will be able to use this function via the "ChemAxon Chemical Terms Filter" component once you have upgraded your PP configureation to the JChem version which contains this new feature.
By the way regular structures can also be stored and searched fine in Markush tables.
The only problem is that (depending on the number of structures) this might be a waste of resources due to the bigger fingerprint size (hard disk, structure cache size in RAM).
Best regards,
Szilard
ChemAxon 9c0afc9aaf
15-07-2009 21:12:35
Hi,
JChem 5.2.3 has been released, and it supports the "isMarkush() Chemical Terms function.
However inside Pipeline Pilot (may depend on version) some markush features may not be properly converted in the ChemAxon Chemical Terms Component using the standard PP Java API.
So we have created a more dedicated ChemAxon Markush Filter component, which can be found under the Prototypes directory for now in the latest early access release:
http://www.chemaxon.com/download.php?dl=&d=/data/download/pp/devel/ChemAxon_for_Pipeline_Pilot_TEST_2009_07_15.zip
Best regards,
Szilard