We use RDKit Postgresql cartridge as our substructure searcher. When a user sketches an aldehyde and submits the mol fle as the query. RD Kit returns aldehydes, but also returns ketones and acids. Is this a bug?
This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith. Click merckgroup.com/disclaimer<https://www.merckgroup.com/en/legal-disclaimer/mail-disclaimer.html> to access the German, French, Spanish, Portuguese, Turkish, Polish and Slovak versions of this disclaimer. Please find our Privacy Statement information by clicking here merckgroup.com/en/privacy-statement.html<https://www.merckgroup.com/en/privacy-statement.html>
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
