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• 2013/10/03 [Cdk-user] circular fingerprints Rajarshi Guha
• 2013/09/28 Re: [Cdk-user] Storing IAtomContainers in a Database Nina Jeliazkova
• 2013/09/25 Re: [Cdk-user] Storing IAtomContainers in a Database Joos Kiener
• 2013/09/24 Re: [Cdk-user] Storing IAtomContainers in a Database Nina Jeliazkova
• 2013/09/24 Re: [Cdk-user] Storing IAtomContainers in a Database Joos Kiener
• 2013/09/24 Re: [Cdk-user] Storing IAtomContainers in a Database Egon Willighagen
• 2013/09/24 [Cdk-user] Storing IAtomContainers in a Database lochana menikarachchi
• 2013/09/22 Re: [Cdk-user] Reading large SD Files Joos Kiener
• 2013/09/22 Re: [Cdk-user] Charge and Stereo Columns in SD Files lochana menikarachchi
• 2013/09/22 Re: [Cdk-user] Charge and Stereo Columns in SD Files John May
• 2013/09/22 Re: [Cdk-user] Charge and Stereo Columns in SD Files Egon Willighagen
• 2013/09/22 Re: [Cdk-user] Charge and Stereo Columns in SD Files lochana menikarachchi
• 2013/09/20 Re: [Cdk-user] Charge and Stereo Columns in SD Files John May
• 2013/09/20 [Cdk-user] Charge and Stereo Columns in SD Files lochana menikarachchi
• 2013/09/20 Re: [Cdk-user] Reading large SD Files Nina Jeliazkova
• 2013/09/20 Re: [Cdk-user] Reading large SD Files Joos Kiener
• 2013/09/20 Re: [Cdk-user] Reading large SD Files Nina Jeliazkova
• 2013/09/20 Re: [Cdk-user] Reading large SD Files Joos Kiener
• 2013/09/19 Re: [Cdk-user] Reading large SD Files lochana menikarachchi
• 2013/09/19 Re: [Cdk-user] Reading large SD Files Joos Kiener
• 2013/09/19 Re: [Cdk-user] Reading large SD Files Nina Jeliazkova
• 2013/09/19 Re: [Cdk-user] Reading large SD Files Nina Jeliazkova
• 2013/09/19 [Cdk-user] Reading large SD Files lochana menikarachchi
• 2013/09/19 Re: [Cdk-user] Reading large SD Files Nina Jeliazkova
• 2013/09/18 Re: [Cdk-user] Reading large SD Files Andrew Dalke
• 2013/09/18 Re: [Cdk-user] Reading large SD Files John May
• 2013/09/18 Re: [Cdk-user] Reading large SD Files Egon Willighagen
• 2013/09/18 Re: [Cdk-user] Reading large SD Files Joos Kiener
• 2013/09/18 Re: [Cdk-user] Reading large SD Files Egon Willighagen
• 2013/09/18 [Cdk-user] Reading large SD Files lochana menikarachchi
• 2013/09/11 Re: [Cdk-user] renumbering of atoms according to inchi canonicalization scheme? gilleain torrance
• 2013/09/11 Re: [Cdk-user] renumbering of atoms according to inchi canonicalization scheme? Nick Vandewiele
• 2013/09/11 Re: [Cdk-user] renumbering of atoms according to inchi canonicalization scheme? Nick Vandewiele
• 2013/09/10 [Cdk-user] renumbering of atoms according to inchi canonicalization scheme? Nick Vandewiele
• 2013/09/10 Re: [Cdk-user] renumbering of atoms according to inchi canonicalization scheme? gilleain torrance
• 2013/09/05 Re: [Cdk-user] loss of atom reference in AtomParity after IAtomContainer cloning? John May
• 2013/09/05 [Cdk-user] loss of atom reference in AtomParity after IAtomContainer cloning? Nick Vandewiele
• 2013/09/04 Re: [Cdk-user] use of protected class org.openscience.cdk.geometry.cip.LigancyFourChirality Nick Vandewiele
• 2013/09/04 Re: [Cdk-user] use of protected class org.openscience.cdk.geometry.cip.LigancyFourChirality John May
• 2013/09/04 [Cdk-user] use of protected class org.openscience.cdk.geometry.cip.LigancyFourChirality Nick Vandewiele
• 2013/08/23 Re: [Cdk-user] descriptors for multi-compound molecules Martin Guetlein
• 2013/08/23 Re: [Cdk-user] descriptors for multi-compound molecules Egon Willighagen
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules Nina Jeliazkova
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules Rajarshi Guha
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules Rajarshi Guha
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules Martin Guetlein
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules Martin Guetlein
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules John May
• 2013/08/22 Re: [Cdk-user] descriptors for multi-compound molecules Rajarshi Guha
• 2013/08/22 [Cdk-user] descriptors for multi-compound molecules Martin Guetlein
• 2013/08/22 Re: [Cdk-user] stereoisomer generation - identifying physically impossible, strained stereoisomers John May
• 2013/08/22 Re: [Cdk-user] stereoisomer generation - identifying physically impossible, strained stereoisomers Nick Vandewiele
• 2013/08/21 Re: [Cdk-user] stereoisomer generation - identifying physically impossible, strained stereoisomers John May
• 2013/08/21 [Cdk-user] stereoisomer generation - identifying physically impossible, strained stereoisomers Nick Vandewiele
• 2013/08/21 [Cdk-user] Opinion Needed - Storing Tetrahedral Centres John May
• 2013/08/09 Re: [Cdk-user] [Cdk-devel] Kekulé form of Structure Nina Jeliazkova
• 2013/08/09 [Cdk-user] Kekulé form of Structure John May
• 2013/08/05 [Cdk-user] release CDK 1.4.19 Egon Willighagen
• 2013/08/05 Re: [Cdk-user] [Cdk-devel] CDK 1.5.3 Released (development) Egon Willighagen
• 2013/08/05 [Cdk-user] CDK 1.5.3 Released (development) John May
• 2013/07/24 [Cdk-user] Fwd: ant dist-large after adding custom classes to cdk? John May
• 2013/07/24 Re: [Cdk-user] ant dist-large after adding custom classes to cdk? Nick Vandewiele
• 2013/07/24 Re: [Cdk-user] ant dist-large after adding custom classes to cdk? Nick Vandewiele
• 2013/07/24 Re: [Cdk-user] ant dist-large after adding custom classes to cdk? Joos Kiener
• 2013/07/24 [Cdk-user] ant dist-large after adding custom classes to cdk? Nick Vandewiele
• 2013/07/13 Re: [Cdk-user] Rendering 2D Structures from SMILES, Highlighting Specific Atoms John May
• 2013/07/12 [Cdk-user] Rendering 2D Structures from SMILES, Highlighting Specific Atoms Aaron Germuth
• 2013/07/02 Re: [Cdk-user] Stereochemistry Input / Output, kind of lost. John May
• 2013/07/02 [Cdk-user] Stereochemistry Input / Output, kind of lost. Joos Kiener
• 2013/07/01 Re: [Cdk-user] CDK for toxicology? Egon Willighagen
• 2013/07/01 Re: [Cdk-user] CDK for toxicology? Egon Willighagen
• 2013/07/01 Re: [Cdk-user] CDK for toxicology? nlskrg
• 2013/06/30 [Cdk-user] CDK for toxicology? Egon Willighagen
• 2013/06/27 Re: [Cdk-user] [Cdk-devel] Stable API Documentation Egon Willighagen
• 2013/06/27 Re: [Cdk-user] loosing aromaticity when writing SDF files John May
• 2013/06/27 Re: [Cdk-user] loosing aromaticity when writing SDF files Nina Jeliazkova
• 2013/06/27 [Cdk-user] Stable API Documentation John May
• 2013/06/27 Re: [Cdk-user] loosing aromaticity when writing SDF files Martin Guetlein
• 2013/06/24 Re: [Cdk-user] loosing aromaticity when writing SDF files Martin Guetlein
• 2013/06/11 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/06/10 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Gauri S
• 2013/06/06 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/06/06 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Gauri S
• 2013/06/06 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Gauri S
• 2013/06/02 Re: [Cdk-user] [Cdk-devel] How many atoms of quinine belong to two rings? Egon Willighagen
• 2013/06/02 [Cdk-user] How many atoms of quinine belong to two rings? John May
• 2013/06/02 Re: [Cdk-user] SdfWriter: write Molecule Name (title) but exclude as property John May
• 2013/06/01 Re: [Cdk-user] framework for creating chemical database applications Joos Kiener
• 2013/05/31 [Cdk-user] CDK Hangout in 2 mins John May
• 2013/05/31 [Cdk-user] SdfWriter: write Molecule Name (title) but exclude as property Joos Kiener
• 2013/05/30 Re: [Cdk-user] SMILESGenerator creates invalid smiles for charged molecule ZINC58167940 Joos Kiener
• 2013/05/30 Re: [Cdk-user] SMILESGenerator creates invalid smiles for charged molecule ZINC58167940 Egon Willighagen
• 2013/05/30 [Cdk-user] SMILESGenerator creates invalid smiles for charged molecule ZINC58167940 Joos Kiener
• 2013/05/28 [Cdk-user] CDK Hangout 31/05 @ 15:00 GMT (16:00 CET) John May
• 2013/05/27 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/05/27 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Gauri S
• 2013/05/23 Re: [Cdk-user] print MCS as aromatic smarts John May
• 2013/05/23 Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
• 2013/05/23 Re: [Cdk-user] print MCS as aromatic smarts John May
• 2013/05/23 Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
• 2013/05/22 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Nina Jeliazkova
• 2013/05/22 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/05/22 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/05/22 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/05/22 Re: [Cdk-user] Cdk-user Digest, Vol 82, Issue 1 Syed Asad Rahman
• 2013/05/22 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Nina Jeliazkova
• 2013/05/22 Re: [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader John May
• 2013/05/22 [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Gauri S
• 2013/05/22 [Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader Gauri S
• 2013/04/29 Re: [Cdk-user] molecule names in smileswriter Patrik Rydberg
• 2013/04/28 Re: [Cdk-user] getting started John May
• 2013/04/28 Re: [Cdk-user] molecule names in smileswriter John May
• 2013/04/28 [Cdk-user] getting started S.L. Chan
• 2013/04/27 [Cdk-user] molecule names in smileswriter Patrik Rydberg
• 2013/04/22 Re: [Cdk-user] force fields Christoph Steinbeck
• 2013/04/21 [Cdk-user] force fields S.L. Chan
• 2013/04/15 Re: [Cdk-user] CML wedge bond info reading regression? Egon Willighagen
• 2013/04/13 Re: [Cdk-user] CML wedge bond info reading regression? John May
• 2013/03/17 Re: [Cdk-user] problems in the use of the signature class gilleain torrance
• 2013/03/15 Re: [Cdk-user] problems in the use of the signature class Patrik Rydberg
• 2013/03/15 [Cdk-user] FW: 3/15/2013 8:45:44 AM Ed Barker
• 2013/03/14 Re: [Cdk-user] problems in the use of the signature class John May
• 2013/03/14 [Cdk-user] problems in the use of the signature class Patrik Rydberg
• 2013/03/09 Re: [Cdk-user] framework for creating chemical database applications Rajarshi Guha
• 2013/03/09 Re: [Cdk-user] framework for creating chemical database applications John May
• 2013/03/09 Re: [Cdk-user] framework for creating chemical database applications Rajarshi Guha
• 2013/03/09 [Cdk-user] framework for creating chemical database applications Joos Kiener
• 2013/01/11 [Cdk-user] CDK hangout (postponed) Egon Willighagen
• 2013/01/04 Re: [Cdk-user] SmileParser fails with Egon Willighagen
• 2013/01/04 Re: [Cdk-user] SmileParser fails with Oliver Karch
• 2013/01/03 Re: [Cdk-user] SmileParser fails with John May
• 2013/01/03 [Cdk-user] SmileParser fails with Oliver Karch
• 2012/12/20 [Cdk-user] Fwd: Molecular flexibility analysis Egon Willighagen
• 2012/12/20 [Cdk-user] JavaDoc on Nightly Egon Willighagen
• 2012/12/18 Re: [Cdk-user] Problems with jni-inchi on MacOSX John May
• 2012/12/18 Re: [Cdk-user] Problems with jni-inchi on MacOSX Ola Spjuth
• 2012/12/18 Re: [Cdk-user] Problems with jni-inchi on MacOSX Egon Willighagen
• 2012/12/17 Re: [Cdk-user] Problems with jni-inchi on MacOSX Scooter Morris
• 2012/12/17 Re: [Cdk-user] Problems with jni-inchi on MacOSX John May
• 2012/12/17 Re: [Cdk-user] Problems with jni-inchi on MacOSX Scooter Morris
• 2012/12/17 Re: [Cdk-user] Problems with jni-inchi on MacOSX Scooter Morris
• 2012/12/17 Re: [Cdk-user] Problems with jni-inchi on MacOSX John May
• 2012/12/17 [Cdk-user] Problems with jni-inchi on MacOSX Scooter Morris
• 2012/12/13 [Cdk-user] a few fixes for cdk-1.4.x Egon Willighagen
• 2012/12/08 [Cdk-user] Minutes of the CDK Hangout yesterday Egon Willighagen
• 2012/11/25 Re: [Cdk-user] strange exception while generating SMILES Nina Jeliazkova
• 2012/11/25 Re: [Cdk-user] strange exception while generating SMILES Alberto Manganaro
• 2012/11/24 Re: [Cdk-user] strange exception while generating SMILES Alberto Manganaro
• 2012/11/24 Re: [Cdk-user] strange exception while generating SMILES Alberto Manganaro
• 2012/11/24 Re: [Cdk-user] strange exception while generating SMILES John May
• 2012/11/24 Re: [Cdk-user] strange exception while generating SMILES John May
• 2012/11/24 Re: [Cdk-user] strange exception while generating SMILES Nina Jeliazkova
• 2012/11/24 [Cdk-user] strange exception while generating SMILES Alberto Manganaro
• 2012/11/23 [Cdk-user] [RFC]: AtomContainer copy constructor usability John May
• 2012/11/23 Re: [Cdk-user] Interpreting output frmo SMOG using CDK gilleain torrance
• 2012/11/23 Re: [Cdk-user] Interpreting output frmo SMOG using CDK C Anthony Lewis
• 2012/11/23 Re: [Cdk-user] Interpreting output frmo SMOG using CDK gilleain torrance
• 2012/11/23 [Cdk-user] Interpreting output frmo SMOG using CDK C Anthony Lewis
• 2012/11/16 Re: [Cdk-user] [Cdk-devel] FYI: layout disconnected structures in 1 AtomContainer Nina Jeliazkova
• 2012/11/16 Re: [Cdk-user] [Cdk-devel] FYI: layout disconnected structures in 1 AtomContainer ralf
• 2012/11/16 Re: [Cdk-user] [Cdk-devel] FYI: layout disconnected structures in 1 AtomContainer ralf
• 2012/11/16 Re: [Cdk-user] [Cdk-devel] FYI: layout disconnected structures in 1 AtomContainer ralf
• 2012/11/16 Re: [Cdk-user] [Cdk-devel] FYI: layout disconnected structures in 1 AtomContainer Nina Jeliazkova
• 2012/11/16 [Cdk-user] FYI: layout disconnected structures in 1 AtomContainer ralf
• 2012/11/16 Re: [Cdk-user] layout disconnected structures in 1 AtomContainer Egon Willighagen
• 2012/11/16 Re: [Cdk-user] layout disconnected structures in 1 AtomContainer ralf
• 2012/11/09 Re: [Cdk-user] layout disconnected structures in 1 AtomContainer Nina Jeliazkova
• 2012/11/09 Re: [Cdk-user] layout disconnected structures in 1 AtomContainer Egon Willighagen
• 2012/11/09 [Cdk-user] layout disconnected structures in 1 AtomContainer Joos Kiener
• 2012/11/09 Re: [Cdk-user] regarding CDK installation Egon Willighagen
• 2012/10/17 Re: [Cdk-user] Getting indivdual unconnected structures from AtomContainer (sdf) Egon Willighagen
• 2012/10/17 [Cdk-user] Getting indivdual unconnected structures from AtomContainer (sdf) Thomas Strunz
• 2012/10/16 Re: [Cdk-user] SMARTS Output format J Birch
• 2012/10/16 Re: [Cdk-user] SMARTS Output format Rajarshi Guha
• 2012/10/16 Re: [Cdk-user] Molecule Fragmentation Rajarshi Guha
• 2012/10/16 Re: [Cdk-user] SMARTS Output format Nina Jeliazkova
• 2012/10/16 [Cdk-user] Molecule Fragmentation J Birch
• 2012/10/16 Re: [Cdk-user] SMARTS Output format J Birch
• 2012/10/16 Re: [Cdk-user] SMARTS Output format J Birch
• 2012/10/16 Re: [Cdk-user] SMARTS Output format Nina Jeliazkova
• 2012/10/16 Re: [Cdk-user] SMARTS Output format Rajarshi Guha
• 2012/10/16 [Cdk-user] SMARTS Output format J Birch
• 2012/10/16 [Cdk-user] I'm really busy and on holiday ... where to report patches Egon Willighagen
• 2012/09/24 Re: [Cdk-user] string representation of a SignatureFingerprint Jonathan Alvarsson
• 2012/09/15 Re: [Cdk-user] REMINDER: time slot for monthly meetings (was: Summary of the first online (developers) CDK meeting) Egon Willighagen
• 2012/09/10 [Cdk-user] string representation of a SignatureFingerprint Rajarshi Guha
• 2012/09/08 Re: [Cdk-user] generate coordinates with wedged bonds ralf
• 2012/09/08 [Cdk-user] generate coordinates with wedged bonds Dorothee Geppert
• 2012/09/05 Re: [Cdk-user] Using the InChIGenerator Egon Willighagen
• 2012/09/05 [Cdk-user] Using the InChIGenerator Rianne Fijten
• 2012/08/27 Re: [Cdk-user] Custom Fingerprint Egon Willighagen
• 2012/08/27 Re: [Cdk-user] Custom Fingerprint Jonathan Alvarsson
• 2012/08/27 [Cdk-user] Custom Fingerprint lochana menikarachchi
• 2012/08/02 [Cdk-user] REMINDER: time slot for monthly meetings (was: Summary of the first online (developers) CDK meeting) Egon Willighagen
• 2012/07/29 Re: [Cdk-user] MOL to SVG, "natural" size Egon Willighagen
• 2012/07/29 Re: [Cdk-user] MOL to SVG, "natural" size Андрей Парамонов
• 2012/07/29 Re: [Cdk-user] MOL to SVG, "natural" size Egon Willighagen
• 2012/07/22 [Cdk-user] Intro into Nightly: computer-aided code evaluation Egon Willighagen
• 2012/07/19 [Cdk-user] [discuss] GeometryTools.has2DCoordinates(IAtomContainer) John May
• 2012/07/19 Re: [Cdk-user] [Cdk-devel] [discuss] GeometryTools.has2DCoordinates(IAtomContainer) Egon Willighagen

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