Dear RDKitters, Our target prediction method - fully based on RDKit - has become online: OCEAN: Optimized Cross rEActivity estimatioN http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00067
The source code can be found here: https://github.com/rdkit/OCEAN We will give a talk as well an hands-on workshop at the upcoming RDKit UGM end of October. Cheers, Guido & Paul 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 http://www.merckgroup.com/disclaimer to access the German, French, Spanish and Portuguese versions of this disclaimer.
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