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• 2008/11/21 Re: [Cdk-user] molecule images from MDL files Egon Willighagen
• 2008/11/21 [Cdk-user] molecule images from MDL files Adel Golovin
• 2008/11/21 [Cdk-user] Parser went wrong dealing with aromatic SMILES Duan Lian
• 2008/11/21 [Cdk-user] Any way to render an image of salts? Duan Lian
• 2008/11/16 [Cdk-user] CML reading problem fixed: aromaticity of bonds (CDK 1.1.1) Egon Willighagen
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Egon Willighagen
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Syed Asad Rahman
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Egon Willighagen
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Rajarshi Guha
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Egon Willighagen
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Syed Asad Rahman
• 2008/11/07 Re: [Cdk-user] MDLReader and Isotopes Egon Willighagen
• 2008/11/06 Re: [Cdk-user] AtomContainerManipulator and percieveAtomTypesAndConfigureAtoms Syed Asad Rahman
• 2008/11/06 Re: [Cdk-user] AtomContainerManipulator and percieveAtomTypesAndConfigureAtoms Egon Willighagen
• 2008/11/06 [Cdk-user] AtomContainerManipulator and percieveAtomTypesAndConfigureAtoms Syed Asad Rahman
• 2008/11/04 [Cdk-user] Fwd: [CHMINF-L] Cheminformatics education Rajarshi Guha
• 2008/11/04 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Rajarshi Guha
• 2008/11/04 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Christoph Steinbeck
• 2008/11/03 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Rajarshi Guha
• 2008/11/03 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Christoph Steinbeck
• 2008/11/03 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Rajarshi Guha
• 2008/11/03 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Mark Rijnbeek
• 2008/11/03 Re: [Cdk-user] ExtendedFingerprinter changes the input molecule Egon Willighagen
• 2008/11/03 [Cdk-user] ExtendedFingerprinter changes the input molecule Mark Rijnbeek
• 2008/10/30 Re: [Cdk-user] wired signs in 2d coordinates of SDF Ola Spjuth
• 2008/10/30 [Cdk-user] wired signs in 2d coordinates of SDF Markus Hartenfeller
• 2008/10/25 Re: [Cdk-user] Possible bug parsing smiles Rajarshi Guha
• 2008/10/25 Re: [Cdk-user] Possible bug parsing smiles Egon Willighagen
• 2008/10/25 Re: [Cdk-user] question as to installation of taverna Egon Willighagen
• 2008/10/25 Re: [Cdk-user] question as to installation of taverna Thomas Kuhn
• 2008/10/24 [Cdk-user] spam in the CDK Wiki Angel Herráez
• 2008/10/24 [Cdk-user] question as to installation of taverna yjzhang
• 2008/10/24 [Cdk-user] Possible bug parsing smiles Wiraj Bibile
• 2008/10/22 [Cdk-user] Call for registration: 20 seats left for German Conference on Chemoinformatics in Goslar Christoph Steinbeck
• 2008/10/19 Re: [Cdk-user] breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) Egon Willighagen
• 2008/10/19 Re: [Cdk-user] breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) Rajarshi Guha
• 2008/10/19 Re: [Cdk-user] breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) Rajarshi Guha
• 2008/10/19 [Cdk-user] breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) Egon Willighagen
• 2008/10/13 Re: [Cdk-user] [Cdk-devel] Please help moving the Wiki one last time Egon Willighagen
• 2008/10/13 Re: [Cdk-user] [Cdk-devel] Please help moving the Wiki one last time Egon Willighagen
• 2008/10/10 Re: [Cdk-user] isotopic masses Rajarshi Guha
• 2008/10/10 Re: [Cdk-user] isotopic masses Miguel Rojas Cherto
• 2008/10/09 [Cdk-user] isotopic masses Rajarshi Guha
• 2008/10/09 [Cdk-user] using isotopic masses Rajarshi Guha
• 2008/10/09 [Cdk-user] Please help moving the Wiki one last time Christoph Steinbeck
• 2008/10/06 Re: [Cdk-user] Atom typing using the cdk and time evaluation of molecular descriptor calculation Rajarshi Guha
• 2008/10/06 Re: [Cdk-user] difference between cdk files Egon Willighagen
• 2008/10/05 [Cdk-user] Atom typing using the cdk and time evaluation of molecular descriptor calculation Maren Reining
• 2008/10/04 Re: [Cdk-user] Nice example of CDK usage Christoph Steinbeck
• 2008/09/26 Re: [Cdk-user] Nice example of CDK usage Rajarshi Guha
• 2008/09/26 [Cdk-user] Nice example of CDK usage Rajarshi Guha
• 2008/09/07 Re: [Cdk-user] problem with loading molfile in jcp applet Egon Willighagen
• 2008/09/05 Re: [Cdk-user] Status of JChemPaint Egon Willighagen
• 2008/09/05 [Cdk-user] Status of JChemPaint Thorsten Meinl
• 2008/09/02 [Cdk-user] Fwd: CDK based toxicity estimation software Egon Willighagen
• 2008/08/28 [Cdk-user] CDK-Taverna release of 0.5.1 Thomas Kuhn
• 2008/08/27 Re: [Cdk-user] Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Rajarshi Guha
• 2008/08/27 Re: [Cdk-user] KNIME/CDK calculations: problems with logP and TPSA Stefan Kuhn
• 2008/08/27 [Cdk-user] Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Christian Grunwald
• 2008/08/27 Re: [Cdk-user] KNIME/CDK calculations: problems with logP and TPSA Thorsten Meinl
• 2008/08/27 Re: [Cdk-user] KNIME/CDK calculations: problems with logP and TPSA Thorsten Meinl
• 2008/08/27 [Cdk-user] Antwort: Re: Antwort: Re: Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Christian Grunwald
• 2008/08/27 Re: [Cdk-user] Antwort: Re: Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Christoph Steinbeck
• 2008/08/26 Re: [Cdk-user] Antwort: Re: Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Thorsten Meinl
• 2008/08/26 [Cdk-user] Antwort: Re: Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Christian Grunwald
• 2008/08/26 Re: [Cdk-user] Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Egon Willighagen
• 2008/08/26 [Cdk-user] Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Christian Grunwald
• 2008/08/26 [Cdk-user] Antwort: Re: KNIME/CDK calculations: problems with logP and TPSA Christian Grunwald
• 2008/08/26 Re: [Cdk-user] KNIME/CDK calculations: problems with logP and TPSA Egon Willighagen
• 2008/08/26 Re: [Cdk-user] KNIME/CDK calculations: problems with logP and TPSA Christoph Steinbeck
• 2008/08/25 Re: [Cdk-user] some questions about CDK Rajarshi Guha
• 2008/08/25 Re: [Cdk-user] ChemClip: Chemical warnings in ChemDraw Egon Willighagen
• 2008/08/25 Re: [Cdk-user] some questions about CDK Rajarshi Guha
• 2008/08/25 [Cdk-user] ChemClip: Chemical warnings in ChemDraw ChemClip on Chemraw
• 2008/08/25 [Cdk-user] some questions about CDK
• 2008/08/25 [Cdk-user] KNIME/CDK calculations: problems with logP and TPSA Christian Grunwald
• 2008/08/24 Re: [Cdk-user] IRingSet interface question Rajarshi Guha
• 2008/08/24 [Cdk-user] IRingSet interface question Bala B K
• 2008/08/12 Re: [Cdk-user] Using the CDK from Python with Cinfony Noel O'Boyle
• 2008/08/12 Re: [Cdk-user] Using the CDK from Python with Cinfony Egon Willighagen
• 2008/08/12 [Cdk-user] Using the CDK from Python with Cinfony Noel O'Boyle
• 2008/07/31 [Cdk-user] lost doublebonds Giangianco
• 2008/07/24 Re: [Cdk-user] Problems with calculating descriptors Egon Willighagen
• 2008/07/24 Re: [Cdk-user] Problems with calculating descriptors Nicholas FitzGerald
• 2008/07/23 Re: [Cdk-user] Fingerprint structure? Rajarshi Guha
• 2008/07/23 [Cdk-user] Fingerprint structure? Nicholas FitzGerald
• 2008/07/22 [Cdk-user] descriptor summary on nightly Rajarshi Guha
• 2008/07/11 Re: [Cdk-user] Trying to use Fileconvertor.java Rajarshi Guha
• 2008/07/11 [Cdk-user] Trying to use Fileconvertor.java Stratos Keranidis
• 2008/07/09 Re: [Cdk-user] partial charges Rajarshi Guha
• 2008/07/09 Re: [Cdk-user] partial charges Miguel Rojas Cherto
• 2008/07/09 Re: [Cdk-user] partial charges Rajarshi Guha
• 2008/07/09 Re: [Cdk-user] partial charges Rajarshi Guha
• 2008/07/09 Re: [Cdk-user] partial charges Miguel Rojas Cherto
• 2008/07/09 Re: [Cdk-user] partial charges Rajarshi Guha
• 2008/07/09 Re: [Cdk-user] partial charges Rajarshi Guha
• 2008/07/09 Re: [Cdk-user] an interesting use of the CDK Egon Willighagen
• 2008/07/09 Re: [Cdk-user] partial charges Miguel Rojas Cherto
• 2008/07/09 [Cdk-user] an interesting use of the CDK Rajarshi Guha
• 2008/07/08 [Cdk-user] partial charges Rajarshi Guha
• 2008/07/07 Re: [Cdk-user] SmilesGenerator question Bala B K
• 2008/07/07 Re: [Cdk-user] SmilesGenerator question Rajarshi Guha
• 2008/07/07 Re: [Cdk-user] SmilesGenerator question Bala B K
• 2008/07/07 Re: [Cdk-user] SmilesGenerator question Rajarshi Guha
• 2008/07/07 Re: [Cdk-user] SmilesGenerator question Bala B K
• 2008/07/07 Re: [Cdk-user] SmilesGenerator question Stefan Kuhn
• 2008/07/07 [Cdk-user] SmilesGenerator question Bala B K
• 2008/07/03 Re: [Cdk-user] Image export demo Mark Southern
• 2008/07/03 Re: [Cdk-user] dipole calculation? Rajarshi Guha
• 2008/07/03 [Cdk-user] dipole calculation? Egon Willighagen
• 2008/07/03 [Cdk-user] Trying to convert pdb file to sdf file format U|web
• 2008/07/03 Re: [Cdk-user] Image export demo Duan Lian
• 2008/07/01 [Cdk-user] Removal of the Deterministic Structure Generator code Egon Willighagen
• 2008/06/30 Re: [Cdk-user] Image export demo Egon Willighagen
• 2008/06/30 Re: [Cdk-user] Image export demo Mark Southern
• 2008/06/28 [Cdk-user] REPLY: Trying to convert pdb file to sdf file format Uweb.gr - Site Creation and Hosting
• 2008/06/28 Re: [Cdk-user] Trying to convert pdb file to sdf file format Egon Willighagen
• 2008/06/28 [Cdk-user] Trying to convert pdb file to sdf file format Uweb.gr - Site Creation and Hosting
• 2008/06/27 Re: [Cdk-user] Image export demo Bala B K
• 2008/06/24 Re: [Cdk-user] detection of stereocenters Christoph Steinbeck
• 2008/06/23 Re: [Cdk-user] detection of stereocenters Rajarshi Guha
• 2008/06/23 Re: [Cdk-user] detection of stereocenters Christoph Steinbeck
• 2008/06/23 Re: [Cdk-user] detection of stereocenters Stefan Kuhn
• 2008/06/22 [Cdk-user] detection of stereocenters Rajarshi Guha
• 2008/06/20 Re: [Cdk-user] problem with loading molfile in jcp applet Stefan Kuhn
• 2008/06/19 [Cdk-user] problem with loading molfile in jcp applet Douglas O'Neal
• 2008/06/16 Re: [Cdk-user] Image export demo Christoph Steinbeck
• 2008/06/12 [Cdk-user] Image export demo Mark Southern
• 2008/06/11 [Cdk-user] updates to the pharmacophore code Rajarshi Guha
• 2008/06/06 Re: [Cdk-user] DescriptorEngine help/bug? Egon Willighagen
• 2008/06/06 Re: [Cdk-user] DescriptorEngine help/bug? Nina Jeliazkova
• 2008/06/06 Re: [Cdk-user] DescriptorEngine help/bug? Egon Willighagen
• 2008/06/06 Re: [Cdk-user] DescriptorEngine help/bug? Nina Jeliazkova
• 2008/06/05 Re: [Cdk-user] DescriptorEngine help/bug? Egon Willighagen
• 2008/06/05 Re: [Cdk-user] DescriptorEngine help/bug? Rajarshi Guha
• 2008/06/04 Re: [Cdk-user] [Cdk-devel] Electrotopological State Index - Any open implementation? Rajarshi Guha
• 2008/06/04 Re: [Cdk-user] [Cdk-devel] Electrotopological State Index - Any open implementation? Egon Willighagen
• 2008/06/04 Re: [Cdk-user] Descriptor name "TPSA" used twice Rajarshi Guha
• 2008/06/04 Re: [Cdk-user] Descriptor name "TPSA" used twice Rajarshi Guha
• 2008/06/04 Re: [Cdk-user] [Cdk-devel] Electrotopological State Index - Any open implementation? Rajarshi Guha
• 2008/06/03 Re: [Cdk-user] generating a SMILES from a structural formula Miguel Rojas Cherto
• 2008/06/03 Re: [Cdk-user] generating a SMILES from a structural formula Egon Willighagen
• 2008/06/03 [Cdk-user] generating a SMILES from a structural formula Robert Stones
• 2008/06/03 Re: [Cdk-user] How to remove hydrogens from a molecule? Miguel Rojas Cherto
• 2008/06/02 [Cdk-user] How to remove hydrogens from a molecule? Mark Southern
• 2008/06/02 [Cdk-user] error reading mol file Bala B K
• 2008/05/30 [Cdk-user] CDK-Taverna Version 0.5.0 release Thomas Kuhn
• 2008/05/29 Re: [Cdk-user] Problems with calculating descriptors Egon Willighagen
• 2008/05/29 Re: [Cdk-user] Problems with calculating descriptors Noel O'Boyle
• 2008/05/29 [Cdk-user] Problems with calculating descriptors Nicholas FitzGerald
• 2008/05/28 [Cdk-user] Descriptor calculation error Nicholas FitzGerald
• 2008/05/28 Re: [Cdk-user] Descriptor name "TPSA" used twice Nicholas FitzGerald
• 2008/05/28 Re: [Cdk-user] Descriptor name "TPSA" used twice Egon Willighagen
• 2008/05/28 [Cdk-user] Descriptor name "TPSA" used twice Nicholas FitzGerald
• 2008/05/27 Re: [Cdk-user] [Cdk-devel] Electrotopological State Index - Any open implementation? Noel O'Boyle
• 2008/05/27 Re: [Cdk-user] [Cdk-devel] Electrotopological State Index - Any open implementation? Egon Willighagen
• 2008/05/26 [Cdk-user] Yaziz Aziz t’a envoyé une deman de d’ami de hi5 Yaziz Aziz
• 2008/05/23 Re: [Cdk-user] DescriptorEngine help/bug? Ola Spjuth
• 2008/05/22 Re: [Cdk-user] DescriptorEngine help/bug? Nina Jeliazkova
• 2008/05/22 Re: [Cdk-user] DescriptorEngine help/bug? Rajarshi Guha
• 2008/05/22 Re: [Cdk-user] DescriptorEngine help/bug? Rajarshi Guha
• 2008/05/22 Re: [Cdk-user] DescriptorEngine help/bug? Nicholas FitzGerald
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Nina Jeliazkova
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Rajarshi Guha
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Egon Willighagen
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Egon Willighagen
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Nina Jeliazkova
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Rajarshi Guha
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Nina Jeliazkova
• 2008/05/21 Re: [Cdk-user] DescriptorEngine help/bug? Rajarshi Guha
• 2008/05/21 [Cdk-user] DescriptorEngine help/bug? Nicholas FitzGerald
• 2008/05/20 [Cdk-user] Stereochemistry across double bonds Noel O'Boyle
• 2008/05/11 Re: [Cdk-user] cinfony all-in-one bundle Christoph Steinbeck
• 2008/05/10 Re: [Cdk-user] cinfony all-in-one bundle Egon Willighagen
• 2008/05/10 [Cdk-user] cinfony all-in-one bundle Noel O'Boyle
• 2008/05/07 Re: [Cdk-user] get mol formular from atom container Miguel Rojas Cherto
• 2008/05/07 Re: [Cdk-user] depicting stereochemistry Rajarshi Guha
• 2008/05/07 Re: [Cdk-user] depicting stereochemistry Stefan Kuhn
• 2008/05/07 Re: [Cdk-user] depicting stereochemistry Noel O'Boyle
• 2008/05/07 Re: [Cdk-user] get mol formular from atom container Noel O'Boyle
• 2008/05/07 Re: [Cdk-user] depicting stereochemistry Rajarshi Guha
• 2008/05/07 Re: [Cdk-user] depicting stereochemistry Egon Willighagen
• 2008/05/07 [Cdk-user] get mol formular from atom container Rajarshi Guha
• 2008/05/07 [Cdk-user] depicting stereochemistry Rajarshi Guha
• 2008/05/06 Re: [Cdk-user] Is class EStateAtomTypeMatcher implemented Aromatic EstateAtomTypes? (Rajarshi Guha) yuandao chen
• 2008/05/04 Re: [Cdk-user] Is class EStateAtomTypeMatcher implemented Aromatic EstateAtomTypes? Rajarshi Guha
• 2008/05/04 Re: [Cdk-user] Is class EStateAtomTypeMatcher implemented Aromatic EstateAtomTypes? yuandao chen
• 2008/05/04 Re: [Cdk-user] Is class EStateAtomTypeMatcher implemented Aromatic EstateAtomTypes? Egon Willighagen
• 2008/05/04 [Cdk-user] Is class EStateAtomTypeMatcher implemented Aromatic EstateAtomTypes? yuandao chen
• 2008/05/04 Re: [Cdk-user] Questions about IChemObject and XYZReader demigodntu
• 2008/05/03 Re: [Cdk-user] Questions about IChemObject and XYZReader Egon Willighagen
• 2008/05/03 Re: [Cdk-user] Questions about IChemObject and XYZReader Rajarshi Guha
• 2008/05/03 [Cdk-user] Questions about IChemObject and XYZReader demigodntu
• 2008/05/01 Re: [Cdk-user] Can one descriptor calculation affect another? Rajarshi Guha
• 2008/05/01 Re: [Cdk-user] Can one descriptor calculation affect another? Noel O'Boyle
• 2008/05/01 Re: [Cdk-user] Can one descriptor calculation affect another? Rajarshi Guha
• 2008/05/01 Re: [Cdk-user] Can one descriptor calculation affect another? Noel O'Boyle
• 2008/05/01 Re: [Cdk-user] Can one descriptor calculation affect another? Rajarshi Guha
• 2008/05/01 Re: [Cdk-user] Can one descriptor calculation affect another? Egon Willighagen
• 2008/05/01 [Cdk-user] Can one descriptor calculation affect another? Noel O'Boyle

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