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• 2015/08/08 Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings Egon Willighagen
• 2015/08/07 Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings John M
• 2015/08/07 Re: [Cdk-user] IChemObjectListener Edmund Duesbury
• 2015/08/07 Re: [Cdk-user] IChemObjectListener Edmund Duesbury
• 2015/08/07 Re: [Cdk-user] IChemObjectListener Edmund Duesbury
• 2015/08/07 Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings John M
• 2015/08/06 Re: [Cdk-user] IChemObjectListener John M
• 2015/08/06 Re: [Cdk-user] IChemObjectListener John M
• 2015/08/04 Re: [Cdk-user] Reading left and right of SmartsAtom John M
• 2015/08/03 [Cdk-user] Reading left and right of SmartsAtom T. V. Siva Kumar
• 2015/07/13 Re: [Cdk-user] problems with calculating partial charge with cdk Zheng Shi
• 2015/07/13 Re: [Cdk-user] problems with calculating partial charge with cdk John M
• 2015/07/13 [Cdk-user] problems with calculating partial charge with cdk Zheng Shi
• 2015/07/09 Re: [Cdk-user] Fragment smiles in a molecule Rajarshi Guha
• 2015/07/08 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk John M
• 2015/07/08 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk John M
• 2015/07/07 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk John K. Sterling
• 2015/07/07 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk Egon Willighagen
• 2015/07/07 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk Zheng Shi
• 2015/07/07 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk Egon Willighagen
• 2015/07/07 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk John M
• 2015/07/06 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk Zheng Shi
• 2015/07/06 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk John M
• 2015/07/06 Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk John M
• 2015/07/06 [Cdk-user] Fragment smiles in a molecule T. V. Siva Kumar
• 2015/07/04 [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk Zheng Shi
• 2015/07/01 Re: [Cdk-user] Generating smiles / query smarts string for QueryAtomContainer John M
• 2015/06/30 [Cdk-user] Generating smiles / query smarts string for QueryAtomContainer T. V. Siva Kumar
• 2015/06/29 Re: [Cdk-user] Regarding IteratingMDLReader in Cdk1.5 Egon Willighagen
• 2015/06/29 [Cdk-user] Regarding IteratingMDLReader in Cdk1.5 T. V. Siva Kumar
• 2015/06/29 [Cdk-user] Metabolomics 2015 Egon Willighagen
• 2015/06/06 [Cdk-user] Java code for enrichment assessment of virtual screening approaches Syed Asad Rahman
• 2015/05/30 Re: [Cdk-user] CDK indexing/Structure viewing John M
• 2015/05/29 [Cdk-user] CDK indexing/Structure viewing Yannick .Djoumbou
• 2015/05/15 [Cdk-user] CDK Literature #6 Egon Willighagen
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query rahul singh gurjar
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query John M
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query rahul singh gurjar
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query Rajarshi Guha
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query rahul singh gurjar
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query Rajarshi Guha
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query rahul singh gurjar
• 2015/05/12 Re: [Cdk-user] Fwd: XlogP descriptor query John M
• 2015/05/12 Re: [Cdk-user] XlogP descriptor query John M
• 2015/05/12 [Cdk-user] Fwd: XlogP descriptor query John M
• 2015/05/11 Re: [Cdk-user] XlogP descriptor query Rajarshi Guha
• 2015/05/11 Re: [Cdk-user] XlogP descriptor query John M
• 2015/05/11 [Cdk-user] XlogP descriptor query rahul singh gurjar
• 2015/05/08 Re: [Cdk-user] Fwd: CDKPsearch speed John M
• 2015/05/08 [Cdk-user] Fwd: CDKPsearch speed Rajarshi Guha
• 2015/05/05 Re: [Cdk-user] Fwd: CDKPsearch speed Egon Willighagen
• 2015/05/03 [Cdk-user] Fwd: [Cdk-devel] Images from Smiles Strings John May
• 2015/04/30 Re: [Cdk-user] Fwd: CDKPsearch speed Rajarshi Guha
• 2015/04/30 Re: [Cdk-user] Fwd: CDKPsearch speed Tim Dudgeon
• 2015/04/29 Re: [Cdk-user] Fwd: CDKPsearch speed Egon Willighagen
• 2015/04/29 Re: [Cdk-user] Fwd: CDKPsearch speed Rajarshi Guha
• 2015/04/29 Re: [Cdk-user] Fwd: CDKPsearch speed Egon Willighagen
• 2015/04/29 Re: [Cdk-user] Fwd: CDKPsearch speed Rajarshi Guha
• 2015/04/29 [Cdk-user] Fwd: Fwd: CDKPsearch speed John M
• 2015/04/29 Re: [Cdk-user] Fwd: CDKPsearch speed Tim Dudgeon
• 2015/04/28 [Cdk-user] Fwd: CDKPsearch speed Rajarshi Guha
• 2015/04/24 Re: [Cdk-user] [URGENT] Issues with Kekulization and Explicit Hydrogens John May
• 2015/04/22 Re: [Cdk-user] [URGENT] Issues with Kekulization and Explicit Hydrogens John May
• 2015/04/21 [Cdk-user] [URGENT] Issues with Kekulization and Explicit Hydrogens Yannick .Djoumbou
• 2015/04/14 Re: [Cdk-user] [Cdk-devel] Foundational CDK article now open access Rajarshi Guha
• 2015/03/09 Re: [Cdk-user] convert ecfp fingerprint to fragments John M
• 2015/03/09 Re: [Cdk-user] convert ecfp fingerprint to fragments Martin Gütlein
• 2015/03/04 Re: [Cdk-user] convert ecfp fingerprint to fragments John May
• 2015/03/04 Re: [Cdk-user] convert ecfp fingerprint to fragments John May
• 2015/03/04 [Cdk-user] convert ecfp fingerprint to fragments Martin Gütlein
• 2015/03/03 Re: [Cdk-user] First property missing from SD file John M
• 2015/02/23 Re: [Cdk-user] First property missing from SD file Tim Dudgeon
• 2015/02/19 Re: [Cdk-user] which descriptors require 3D structures? Rajarshi Guha
• 2015/02/19 [Cdk-user] 1.5.10 version of my Groovy Cheminformatics with the CDK book Egon Willighagen
• 2015/02/19 [Cdk-user] which descriptors require 3D structures? Martin Gütlein
• 2015/02/04 Re: [Cdk-user] Is there a method to judge whether a molecule has a certain signature gilleain torrance
• 2015/02/04 Re: [Cdk-user] Stereochemistry during 2D generation of SMILES structure John M
• 2015/02/03 [Cdk-user] Is there a method to judge whether a molecule has a certain signature 杨弘宾
• 2015/01/29 Re: [Cdk-user] [CDK] Urgent issue : Adding/Removing Explicit Hydrogen atoms John M
• 2015/01/26 [Cdk-user] [CDK] Urgent issue : Adding/Removing Explicit Hydrogen atoms Yannick .Djoumbou
• 2015/01/24 Re: [Cdk-user] Getting Screen Coordinates for each Atom John M
• 2015/01/22 [Cdk-user] Getting Screen Coordinates for each Atom Zachary Charlop-Powers
• 2015/01/20 Re: [Cdk-user] aromaticity detection in cdk 1.4 fails (?) for some compounds John May
• 2015/01/20 Re: [Cdk-user] aromaticity detection in cdk 1.4 fails (?) for some compounds John May
• 2015/01/20 [Cdk-user] aromaticity detection in cdk 1.4 fails (?) for some compounds Martin Gütlein
• 2015/01/17 Re: [Cdk-user] Stereochemistry during 2D generation of SMILES structure Oscar Mora
• 2015/01/16 Re: [Cdk-user] Stereochemistry during 2D generation of SMILES structure John M
• 2015/01/16 [Cdk-user] Stereochemistry during 2D generation of SMILES structure Oscar Mora
• 2015/01/15 Re: [Cdk-user] First property missing from SD file Egon Willighagen
• 2015/01/15 Re: [Cdk-user] First property missing from SD file Tim Dudgeon
• 2015/01/13 Re: [Cdk-user] First property missing from SD file Tim Dudgeon
• 2015/01/07 Re: [Cdk-user] First property missing from SD file John May
• 2015/01/06 Re: [Cdk-user] build status Egon Willighagen
• 2015/01/06 [Cdk-user] build status Tim Dudgeon
• 2015/01/06 [Cdk-user] First property missing from SD file Tim Dudgeon
• 2014/12/30 Re: [Cdk-user] [Cdk-devel] CDK 1.5.10 available on Maven Central Egon Willighagen
• 2014/12/30 Re: [Cdk-user] [Cdk-devel] CDK 1.5.10 available on Maven Central Nina Jeliazkova
• 2014/12/29 [Cdk-user] CDK 1.5.10 available on Maven Central John May
• 2014/12/24 [Cdk-user] CDK Release 1.5.9 John May
• 2014/12/21 Re: [Cdk-user] problems with calculating TPSA in cdk John May
• 2014/12/21 Re: [Cdk-user] problems with calculating TPSA in cdk Zheng Shi
• 2014/12/21 Re: [Cdk-user] problems with calculating TPSA in cdk Egon Willighagen
• 2014/12/19 [Cdk-user] problems with calculating TPSA in cdk Zheng Shi
• 2014/12/06 Re: [Cdk-user] jni-inchi and OSGi John May
• 2014/12/05 Re: [Cdk-user] jni-inchi and OSGi Scooter Morris
• 2014/12/04 Re: [Cdk-user] retain stereochemistry information when printing SMILES (in 1.4) John May
• 2014/12/04 [Cdk-user] retain stereochemistry information when printing SMILES (in 1.4) Martin Gütlein
• 2014/12/03 Re: [Cdk-user] how to print SMARTS pattern without hydrogens Martin Gütlein
• 2014/12/03 Re: [Cdk-user] how to print SMARTS pattern without hydrogens Martin Gütlein
• 2014/12/03 Re: [Cdk-user] cannot import cdk as maven project to eclipse Martin Gütlein
• 2014/12/02 Re: [Cdk-user] Cdk-user Digest, Vol 101, Issue 2 Syed Asad Rahman
• 2014/12/02 Re: [Cdk-user] cannot import cdk as maven project to eclipse John May
• 2014/12/02 Re: [Cdk-user] how to print SMARTS pattern without hydrogens Nina Jeliazkova
• 2014/12/02 Re: [Cdk-user] how to print SMARTS pattern without hydrogens John May
• 2014/12/02 Re: [Cdk-user] cannot import cdk as maven project to eclipse John May
• 2014/12/02 Re: [Cdk-user] how to print SMARTS pattern without hydrogens Martin Gütlein
• 2014/12/02 [Cdk-user] cannot import cdk as maven project to eclipse Martin Gütlein
• 2014/11/28 Re: [Cdk-user] cdk-jar including java sources John May
• 2014/11/28 Re: [Cdk-user] cdk-jar including java sources Oliver Stueker
• 2014/11/28 Re: [Cdk-user] Isotope detection / management Oscar Mora
• 2014/11/28 [Cdk-user] Fwd: Double bond stereochemistry John May
• 2014/11/28 [Cdk-user] Fwd: questions about the hash fingerprinters John May
• 2014/11/28 Re: [Cdk-user] maven compile failure John May
• 2014/11/28 Re: [Cdk-user] Isotope detection / management John May
• 2014/11/28 Re: [Cdk-user] Isotope detection / management John May
• 2014/11/28 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk John May
• 2014/11/28 [Cdk-user] cdk-jar including java sources John M
• 2014/11/28 Re: [Cdk-user] XMLIsotope class file missing John M
• 2014/11/26 Re: [Cdk-user] Problem with Standard Generator Oscar Mora
• 2014/11/26 Re: [Cdk-user] Problem with Standard Generator John May
• 2014/11/26 [Cdk-user] XMLIsotope class file missing Karuna Gujar
• 2014/11/25 Re: [Cdk-user] jni-inchi and OSGi Scooter Morris
• 2014/11/25 Re: [Cdk-user] jni-inchi and OSGi Scooter Morris
• 2014/11/25 Re: [Cdk-user] Weird problem with CDK smarts pattern matching Egon Willighagen
• 2014/11/25 Re: [Cdk-user] jni-inchi and OSGi Egon Willighagen
• 2014/11/24 Re: [Cdk-user] Weird problem with CDK smarts pattern matching Egon Willighagen
• 2014/11/24 [Cdk-user] jni-inchi and OSGi Scooter Morris
• 2014/11/24 [Cdk-user] Fwd: Weird problem with CDK smarts pattern matching Yannick .Djoumbou
• 2014/11/24 [Cdk-user] Your friend [email protected] cannot see your photo rkurczab
• 2014/11/20 [Cdk-user] Weird problem with CDK smarts pattern matching Yannick .Djoumbou
• 2014/11/19 [Cdk-user] [email protected] has indicated you're a friend. Accept? rkurczab
• 2014/11/17 [Cdk-user] Problem with Standard Generator Oscar Mora
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Martin Guetlein
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Martin Guetlein
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Nina Jeliazkova
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Martin Guetlein
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Nina Jeliazkova
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Egon Willighagen
• 2014/11/05 Re: [Cdk-user] cdk-jar including java sources Martin Guetlein
• 2014/11/03 [Cdk-user] cdk-jar including java sources Martin Guetlein
• 2014/10/30 Re: [Cdk-user] Iterating over SDF files Egon Willighagen
• 2014/10/29 [Cdk-user] Iterating over SDF files Yannick .Djoumbou
• 2014/10/26 [Cdk-user] maven compile failure 杜宇
• 2014/10/24 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Rajarshi Guha
• 2014/10/23 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Zheng Shi
• 2014/10/23 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Rajarshi Guha
• 2014/10/22 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Yannick .Djoumbou
• 2014/10/22 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Yannick .Djoumbou
• 2014/10/21 Re: [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Zheng Shi
• 2014/10/21 [Cdk-user] questions about calculating LengthOverBreadthDescriptors with cdk Zheng Shi
• 2014/10/20 [Cdk-user] questions about the hash fingerprinters Andrew Dalke
• 2014/10/20 [Cdk-user] MACCS key 44 Andrew Dalke
• 2014/10/07 [Cdk-user] Isotope detection / management Oscar Mora
• 2014/10/05 [Cdk-user] how to print SMARTS pattern without hydrogens Martin Guetlein
• 2014/10/01 Re: [Cdk-user] FixBondOrdersTool not determenestic John May
• 2014/10/01 Re: [Cdk-user] JChemPaint and CDK 1.5.8 John May
• 2014/09/30 Re: [Cdk-user] FixBondOrdersTool not determenestic Martin Guetlein
• 2014/09/30 Re: [Cdk-user] FixBondOrdersTool not determenestic Martin Guetlein
• 2014/09/30 Re: [Cdk-user] FixBondOrdersTool not determenestic John May
• 2014/09/30 Re: [Cdk-user] FixBondOrdersTool not determenestic Martin Guetlein
• 2014/09/30 Re: [Cdk-user] FixBondOrdersTool not determenestic John May
• 2014/09/30 [Cdk-user] how to print SMARTS pattern without hydrogens Martin Guetlein
• 2014/09/29 Re: [Cdk-user] FixBondOrdersTool not determenestic Kevin Lawson
• 2014/09/29 Re: [Cdk-user] questions about adding implicit hydrogen and get paths of a certain length in a molecule John May
• 2014/09/26 [Cdk-user] too many paths when generating fingerprints Rajarshi Guha
• 2014/09/26 [Cdk-user] FixBondOrdersTool not determenestic Martin Guetlein
• 2014/09/17 [Cdk-user] JChemPaint and CDK 1.5.8 Kevin Lawson
• 2014/09/13 [Cdk-user] Fwd: questions about adding implicit hydrogen and get paths of a certain length in a molecule John May
• 2014/09/13 Re: [Cdk-user] [Cdk-devel] New rendering generator John May
• 2014/09/12 Re: [Cdk-user] [Cdk-devel] New rendering generator Cyrus Harmon
• 2014/09/12 [Cdk-user] New rendering generator John May
• 2014/09/11 Re: [Cdk-user] [Cdk-devel] CDK Release 1.5.8 John May
• 2014/09/11 Re: [Cdk-user] [Cdk-devel] CDK Release 1.5.8 Rajarshi Guha
• 2014/09/11 [Cdk-user] CDK Release 1.5.8 John May
• 2014/09/04 Re: [Cdk-user] Re-build CDK without a dependency John May
• 2014/09/04 Re: [Cdk-user] Re-build CDK without a dependency Oscar Mora
• 2014/09/04 Re: [Cdk-user] Re-build CDK without a dependency John May
• 2014/09/04 Re: [Cdk-user] Re-build CDK without a dependency Oscar Mora
• 2014/09/03 Re: [Cdk-user] Re-build CDK without a dependency John May
• 2014/09/03 [Cdk-user] Re-build CDK without a dependency Oscar Mora
• 2014/09/01 Re: [Cdk-user] [Cdk-devel] New JDK version John May
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version Egon Willighagen
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version Nina Jeliazkova
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version John May
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version Nina Jeliazkova
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version Till Schäfer
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version Cyrus Harmon
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version John May
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version Till Schäfer
• 2014/08/29 Re: [Cdk-user] [Cdk-devel] New JDK version John May

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