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

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