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• • Re: [Cdk-user] What are the contents of pom.xml file to install cdk-2.0.jar after installing apache maven? Egon Willighagen
• [Cdk-user] How to install Chemistry development kit after installing apache-maven-3.6.3 Winod Dhamnekar
  • Re: [Cdk-user] How to install Chemistry development kit after installing apache-maven-3.6.3 John May
  • Re: [Cdk-user] How to install Chemistry development kit after installing apache-maven-3.6.3 John Mayfield
  • Re: [Cdk-user] How to install Chemistry development kit after installing apache-maven-3.6.3 John May
• [Cdk-user] CDK 2.4 release date? Daniel Katzel
  • Re: [Cdk-user] CDK 2.4 release date? Egon Willighagen
  • Re: [Cdk-user] CDK 2.4 release date? John May
• [Cdk-user] Wrong molecular formula? Stesycki, Manuel
  • Re: [Cdk-user] Wrong molecular formula? Christoph Steinbeck
  • Re: [Cdk-user] Wrong molecular formula? John Mayfield
• [Cdk-user] experimental CDK support in chemfp Andrew Dalke
  • [Cdk-user] CDK support in chemfp 3.5b1 Andrew Dalke
  • Re: [Cdk-user] CDK support in chemfp 3.5b1 Egon Willighagen
  • Re: [Cdk-user] CDK support in chemfp 3.5b1 Andrew Dalke
  • Re: [Cdk-user] CDK support in chemfp 3.5b1 Egon Willighagen
  • Re: [Cdk-user] CDK support in chemfp 3.5b1 Andrew Dalke
  • Re: [Cdk-user] CDK support in chemfp 3.5b1 Egon Willighagen
• [Cdk-user] RDKit/Dragon Features that CDK Lacks Contrebande via Cdk-user
  • [Cdk-user] R: RDKit/Dragon Features that CDK Lacks Cosimo Toma
• [Cdk-user] RDKit UGM Videos online Christoph Steinbeck
• [Cdk-user] atom typing without atom type name Rajarshi Guha
  • Re: [Cdk-user] atom typing without atom type name John Mayfield
  • Re: [Cdk-user] atom typing without atom type name Rajarshi Guha
• [Cdk-user] Landrum blog post on similarity searching with highly folded fingerprints Christoph Steinbeck
• [Cdk-user] Help to identify the descriptors PRAKASH GOPALSAMY
  • [Cdk-user] Help to identify the descriptors PRAKASH GOPALSAMY
• [Cdk-user] VolSurf-like molecular descriptors Fleming Kretschmer
  • Re: [Cdk-user] VolSurf-like molecular descriptors Egon Willighagen
• [Cdk-user] CDK in PyCharm IDE Chalk, Stuart
  • Re: [Cdk-user] CDK in PyCharm IDE Markus Sitzmann
  • Re: [Cdk-user] CDK in PyCharm IDE Chalk, Stuart
  • Re: [Cdk-user] CDK in PyCharm IDE John Mayfield
  • Re: [Cdk-user] CDK in PyCharm IDE John Mayfield
• [Cdk-user] How can I save a wavy bond in a file? Shao Frankro
  • Re: [Cdk-user] How can I save a wavy bond in a file? John Mayfield
  • Re: [Cdk-user] How can I save a wavy bond in a file? Shao Frankro
  • Re: [Cdk-user] How can I save a wavy bond in a file? John Mayfield
• [Cdk-user] Raw fingerprints impossible to calculate Maria Sorokina
  • Re: [Cdk-user] Raw fingerprints impossible to calculate John Mayfield
  • Re: [Cdk-user] Raw fingerprints impossible to calculate Egon Willighagen
  • Re: [Cdk-user] Raw fingerprints impossible to calculate John Mayfield
  • Re: [Cdk-user] Raw fingerprints impossible to calculate Maria Sorokina
  • Re: [Cdk-user] Raw fingerprints impossible to calculate John Mayfield
  • Re: [Cdk-user] Raw fingerprints impossible to calculate John Mayfield
  • Re: [Cdk-user] Raw fingerprints impossible to calculate Maria Sorokina
  • Re: [Cdk-user] Raw fingerprints impossible to calculate John Mayfield
• [Cdk-user] Substructure search using ShortestPathFingerprinter nicepeopleproject
  • Re: [Cdk-user] Substructure search using ShortestPathFingerprinter John Mayfield
  • Re: [Cdk-user] Substructure search using ShortestPathFingerprinter John Mayfield
  • Re: [Cdk-user] Substructure search using ShortestPathFingerprinter nicepeopleproject
  • Re: [Cdk-user] Substructure search using ShortestPathFingerprinter John Mayfield
• [Cdk-user] CDK 2.3 now in Debian Unstable Egon Willighagen
• [Cdk-user] How can I use CDK on ia64 server using HP UX OS? 강신원
  • Re: [Cdk-user] How can I use CDK on ia64 server using HP UX OS? John Mayfield
  • Re: [Cdk-user] How can I use CDK on ia64 server using HP UX OS? 강신원
• [Cdk-user] Questions about the function "placeSpiroRing" in RingPlacer.jave ????????
  • Re: [Cdk-user] Questions about the function "placeSpiroRing" in RingPlacer.jave John Mayfield
• [Cdk-user] ?????? Questions about the function "Addring" ????????
  • Re: [Cdk-user] Questions about the function "Addring" Christoph Steinbeck
  • Re: [Cdk-user] Questions about the function "Addring" John Mayfield
  • [Cdk-user] ?????? Questions about the function "Addring" ????????
• [Cdk-user] Questions about the function "Addring" ????????
  • Re: [Cdk-user] Questions about the function "Addring" Christoph Steinbeck
• [Cdk-user] Reg: Reading Jmol generated SDF file using Iterating SDF reader cdk 1.5.8 Vinothkumar Mohanakrishnan
  • Re: [Cdk-user] Reg: Reading Jmol generated SDF file using Iterating SDF reader cdk 1.5.8 John Mayfield
• [Cdk-user] Smarts cast exception Stesycki, Manuel
  • Re: [Cdk-user] Smarts cast exception Stesycki, Manuel
  • Re: [Cdk-user] Smarts cast exception John Mayfield
• [Cdk-user] Compiling a List of Seminal Papers in Cheminformatics Christoph Steinbeck
  • Re: [Cdk-user] [BlueObelisk-discuss] Compiling a List of Seminal Papers in Cheminformatics Craig James
  • Re: [Cdk-user] [BlueObelisk-discuss] Compiling a List of Seminal Papers in Cheminformatics Syed Asad Rahman
• [Cdk-user] Bug in MCS determination? Tim Dudgeon
  • Re: [Cdk-user] Bug in MCS determination? Tim Dudgeon
  • Re: [Cdk-user] Bug in MCS determination? John Mayfield
  • Re: [Cdk-user] Bug in MCS determination? Tim Dudgeon
  • Re: [Cdk-user] Bug in MCS determination? John Mayfield
  • Re: [Cdk-user] Bug in MCS determination? Tim Dudgeon
• [Cdk-user] depiction without stereochemistry Tim Dudgeon
  • Re: [Cdk-user] depiction without stereochemistry John Mayfield
  • Re: [Cdk-user] depiction without stereochemistry Tim Dudgeon
  • Re: [Cdk-user] depiction without stereochemistry John Mayfield
• [Cdk-user] MCS and alignment Tim Dudgeon
  • Re: [Cdk-user] MCS and alignment John Mayfield
  • Re: [Cdk-user] MCS and alignment Tim Dudgeon
  • Re: [Cdk-user] MCS and alignment John Mayfield
• [Cdk-user] controlling hydrogen display with DepictionGenerator Tim Dudgeon
  • Re: [Cdk-user] controlling hydrogen display with DepictionGenerator John Mayfield
  • Re: [Cdk-user] controlling hydrogen display with DepictionGenerator Tim Dudgeon
  • Re: [Cdk-user] controlling hydrogen display with DepictionGenerator Egon Willighagen
  • Re: [Cdk-user] controlling hydrogen display with DepictionGenerator John Mayfield
  • Re: [Cdk-user] controlling hydrogen display with DepictionGenerator Tim Dudgeon
  • Re: [Cdk-user] controlling hydrogen display with DepictionGenerator John Mayfield
• [Cdk-user] Stereochemistry resolution Wehner, Sebastian via Cdk-user
  • Re: [Cdk-user] Stereochemistry resolution John Mayfield
  • Re: [Cdk-user] Stereochemistry resolution Wehner, Sebastian via Cdk-user
  • Re: [Cdk-user] Stereochemistry resolution John Mayfield
  • Re: [Cdk-user] Stereochemistry resolution John Mayfield
  • Re: [Cdk-user] Stereochemistry resolution Wehner, Sebastian via Cdk-user
• [Cdk-user] Stereochemistry is disregarded when creating SMILES from MOL-File Wehner, Sebastian via Cdk-user
  • Re: [Cdk-user] Stereochemistry is disregarded when creating SMILES from MOL-File John Mayfield
  • Re: [Cdk-user] Stereochemistry is disregarded when creating SMILES from MOL-File Wehner, Sebastian via Cdk-user
  • Re: [Cdk-user] Stereochemistry is disregarded when creating SMILES from MOL-File John Mayfield
  • Re: [Cdk-user] Stereochemistry is disregarded when creating SMILES from MOL-File Wehner, Sebastian via Cdk-user
• [Cdk-user] CDK 20y anniversary symposium - poll for interest Christoph Steinbeck
  • [Cdk-user] CDK 20y anniversary symposium - Registration now open Christoph Steinbeck
  • [Cdk-user] ACT NOW: CDK 20y anniversary symposium - Hotel rooms gone soon! Christoph Steinbeck
• [Cdk-user] Enantiomer generator? Daniel Katzel
  • Re: [Cdk-user] Enantiomer generator? John Mayfield
• [Cdk-user] CDK2.0 with python Ganapati Natarajan
  • Re: [Cdk-user] CDK2.0 with python John Mayfield
  • Re: [Cdk-user] CDK2.0 with python Ganapati Natarajan
  • Re: [Cdk-user] CDK2.0 with python John Mayfield
• [Cdk-user] How to add hydrogens with 3D coordinate? love_software0 via Cdk-user
  • Re: [Cdk-user] How to add hydrogens with 3D coordinate? John Mayfield
  • Re: [Cdk-user] How to add hydrogens with 3D coordinate? love_software0 via Cdk-user
• [Cdk-user] Tow problems about the calculation of molecular weight love_software0 via Cdk-user
  • Re: [Cdk-user] Tow problems about the calculation of molecular weight Stesycki, Manuel
  • Re: [Cdk-user] Tow problems about the calculation of molecular weight John Mayfield
  • Re: [Cdk-user] Tow problems about the calculation of molecular weight John Mayfield
  • Re: [Cdk-user] Tow problems about the calculation of molecular weight Emma SCHYMANSKI
• [Cdk-user] Ideal Bond Lenghts Cosimo Toma
• [Cdk-user] CDK v2.2 John Mayfield
  • Re: [Cdk-user] CDK v2.2 Syed Asad Rahman
  • Re: [Cdk-user] CDK v2.2 John Mayfield
  • Re: [Cdk-user] CDK v2.2 Syed Asad Rahman
  • Re: [Cdk-user] CDK v2.2 John Mayfield
  • Re: [Cdk-user] CDK v2.2 Syed Asad Rahman
  • Re: [Cdk-user] CDK v2.2 Christoph Steinbeck
  • Re: [Cdk-user] CDK v2.2 John Mayfield
  • Re: [Cdk-user] CDK v2.2 Syed Asad Rahman
  • Re: [Cdk-user] CDK v2.2 John Mayfield
• Re: [Cdk-user] Question on CDK and a small documentation John Mayfield
  • Re: [Cdk-user] Question on CDK and a small documentation Kohulan Rajan
  • Re: [Cdk-user] Question on CDK and a small documentation John Mayfield
  • Re: [Cdk-user] Question on CDK and a small documentation Kohulan Rajan
• [Cdk-user] SMSD and RDT with CDK v 2.x released Syed Asad Rahman
  • Re: [Cdk-user] SMSD and RDT with CDK v 2.x released Egon Willighagen
• [Cdk-user] MCS detection Rajarshi Guha
  • Re: [Cdk-user] MCS detection John Mayfield
• [Cdk-user] can't get total exact mass after atom typing Rajarshi Guha
  • Re: [Cdk-user] can't get total exact mass after atom typing John Mayfield
• [Cdk-user] InChi and Docker Maria Sorokina
  • Re: [Cdk-user] InChi and Docker John Mayfield
  • Re: [Cdk-user] InChi and Docker Maria Sorokina
  • Re: [Cdk-user] InChi and Docker John Mayfield
  • Re: [Cdk-user] InChi and Docker Maria Sorokina
  • Re: [Cdk-user] InChi and Docker John Mayfield
  • Re: [Cdk-user] InChi and Docker John Mayfield
  • Re: [Cdk-user] InChi and Docker [solved] Maria Sorokina
  • Re: [Cdk-user] InChi and Docker [solved] Egon Willighagen
  • Re: [Cdk-user] InChi and Docker [solved] John Mayfield
  • [Cdk-user] CDK functionality in Docker images (was: InChi and Docker) Egon Willighagen
  • Re: [Cdk-user] CDK functionality in Docker images (was: InChi and Docker) John Mayfield
  • Re: [Cdk-user] CDK functionality in Docker images (was: InChi and Docker) Christoph Steinbeck
  • Re: [Cdk-user] CDK functionality in Docker images (was: InChi and Docker) Egon Willighagen
  • Re: [Cdk-user] CDK functionality in Docker images (was: InChi and Docker) Christoph Steinbeck
• [Cdk-user] Aligning Reaction using Fixed Substructure Ross West
  • Re: [Cdk-user] Aligning Reaction using Fixed Substructure John Mayfield
  • Re: [Cdk-user] Aligning Reaction using Fixed Substructure John Mayfield
• [Cdk-user] SMARTSQueryTool aromaticity Iris E.
  • Re: [Cdk-user] SMARTSQueryTool aromaticity John Mayfield
• [Cdk-user] lots of debug output when using CDK 2.2-SNAPSHOT Rajarshi Guha
  • Re: [Cdk-user] lots of debug output when using CDK 2.2-SNAPSHOT John Mayfield
  • Re: [Cdk-user] lots of debug output when using CDK 2.2-SNAPSHOT John Mayfield
  • Re: [Cdk-user] lots of debug output when using CDK 2.2-SNAPSHOT Rajarshi Guha
• [Cdk-user] Question about 3D SDF file from SMILES string Xuan Cao
  • Re: [Cdk-user] Question about 3D SDF file from SMILES string John Mayfield
  • Re: [Cdk-user] Question about 3D SDF file from SMILES string Xuan Cao
  • Re: [Cdk-user] Question about 3D SDF file from SMILES string Egon Willighagen
  • Re: [Cdk-user] Question about 3D SDF file from SMILES string John Mayfield
  • Re: [Cdk-user] Question about 3D SDF file from SMILES string Xuan Cao
• [Cdk-user] CDK documentation Raven aka Krzmbrzl
• [Cdk-user] Structure generation approaches Lee Ferguson
  • Re: [Cdk-user] Structure generation approaches Christoph Steinbeck
  • Re: [Cdk-user] Structure generation approaches Lee Ferguson
• Re: [Cdk-user] [Cdk-devel] CDK unique smiles flavour fails on some cyclobutadiens John Mayfield
• Re: [Cdk-user] InChiKey changing Upon simple conversion of implicit hydrogens John Mayfield
  • Re: [Cdk-user] InChiKey changing Upon simple conversion of implicit hydrogens Yannick .Djoumbou
  • Re: [Cdk-user] InChiKey changing Upon simple conversion of implicit hydrogens John Mayfield
  • Re: [Cdk-user] InChiKey changing Upon simple conversion of implicit hydrogens Yannick .Djoumbou
• [Cdk-user] Combinatorially Expand R groups Zach Charlop-Powers
  • Re: [Cdk-user] Combinatorially Expand R groups Emma SCHYMANSKI
  • Re: [Cdk-user] Combinatorially Expand R groups Zach Charlop-Powers
  • Re: [Cdk-user] Combinatorially Expand R groups Emma SCHYMANSKI
  • Re: [Cdk-user] Combinatorially Expand R groups John Mayfield
  • Re: [Cdk-user] Combinatorially Expand R groups Zach Charlop-Powers
  • Re: [Cdk-user] Combinatorially Expand R groups Kevin Lawson
  • Re: [Cdk-user] Combinatorially Expand R groups Zach Charlop-Powers
• [Cdk-user] aromatic bonds depicted as any bonds Tim Dudgeon
  • Re: [Cdk-user] aromatic bonds depicted as any bonds John Mayfield
  • Re: [Cdk-user] aromatic bonds depicted as any bonds Tim Dudgeon
  • Re: [Cdk-user] aromatic bonds depicted as any bonds John Mayfield
• [Cdk-user] CDK Release 2.1 John Mayfield
  • Re: [Cdk-user] CDK Release 2.1 Tim Dudgeon
  • Re: [Cdk-user] CDK Release 2.1 John Mayfield
  • Re: [Cdk-user] CDK Release 2.1 John Mayfield
• [Cdk-user] Reg: Editing linear Chain alkane (Heptane) Vinothkumar Mohanakrishnan
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) John Mayfield
  • Re: [Cdk-user] Reg: Editing linear Chain alkane (Heptane) Vinothkumar Mohanakrishnan

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