Re: [Rdkit-discuss] OCEAN: Our Target Prediction Paper (including Source Code)
Hi guys, Congrats - great use of ChEMBL and myChEMBL too :) George On 27 September 2016 at 05:13, Paul Czodrowski < paul.czodrow...@merckgroup.com> wrote: > Dear RDKitters, > > > > Our target prediction method – fully based on RDKit – has become online: > > OCEAN: *O*ptimized *C*ross r*EA*ctivity estimatio*N* > > 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. > > > -- > > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > -- ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] OCEAN: Our Target Prediction Paper (including Source Code)
Hi Paul, very interesting, thanks a lot for sharing! Looking forward to the presentation at the UGM! Kind regards, Axel On 27.09.2016 06:13, Paul Czodrowski wrote: Dear RDKitters, Our target prediction method – fully based on RDKit – has become online: OCEAN: *O*ptimized *C*ross r*EA*ctivity estimatio*N* 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/disclaimerto access the German, French, Spanish and Portuguese versions of this disclaimer. -- ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] OCEAN: Our Target Prediction Paper (including Source Code)
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. -- ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
