cdk-user
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2009/11/17
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 10
Mark Rijnbeek
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Charlie Zhu
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Rajarshi Guha
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Charlie Zhu
2009/11/17
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 10
Rajarshi Guha
2009/11/17
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 10
Aziz Yasri
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Rajarshi Guha
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Noel O'Boyle
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Noel O'Boyle
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Rajarshi Guha
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Dmitry Pavlov
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Dmitry Pavlov
2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Rajarshi Guha
2009/11/17
[Cdk-user] Strange SMILES produced by CDK
Dmitry Pavlov
2009/11/13
[Cdk-user] 30 min for PEOE Partial Charge calculation
Gwenael Chevé
2009/11/12
Re: [Cdk-user] SMARTS question
Rajarshi Guha
2009/11/12
Re: [Cdk-user] SMARTS question
Mark Rijnbeek
2009/11/11
Re: [Cdk-user] SMARTS question
Rajarshi Guha
2009/11/11
Re: [Cdk-user] SMARTS question
Mark Rijnbeek
2009/11/11
Re: [Cdk-user] SMARTS question
Rajarshi Guha
2009/11/11
Re: [Cdk-user] SMARTS question
Egon Willighagen
2009/11/11
Re: [Cdk-user] SMARTS question
Mark Rijnbeek
2009/11/10
Re: [Cdk-user] SMARTS question (Rajarshi Guha)
Rajarshi Guha
2009/11/10
Re: [Cdk-user] SMARTS question (Rajarshi Guha)
Loren Lenzen
2009/11/09
Re: [Cdk-user] SMARTS question
Rajarshi Guha
2009/11/09
Re: [Cdk-user] Hydrogen atomic number is null
Egon Willighagen
2009/11/09
[Cdk-user] Hydrogen atomic number is null
Vincent Le Guilloux
2009/11/09
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 4
Aziz Yasri
2009/11/06
[Cdk-user] Wrong atom types assignements
Aziz Yasri
2009/11/04
Re: [Cdk-user] SMARTS question
Rajarshi Guha
2009/11/04
[Cdk-user] SMARTS question
Mark Rijnbeek
2009/11/04
Re: [Cdk-user] Aromatization & SDF bond type
Rajarshi Guha
2009/11/04
Re: [Cdk-user] Aromatization & SDF bond type
Vincent Le Guilloux
2009/11/04
Re: [Cdk-user] Aromatization & SDF bond type
Egon Willighagen
2009/11/04
Re: [Cdk-user] Aromatization & SDF bond type
Nina Jeliazkova
2009/11/04
Re: [Cdk-user] Aromatization & SDF bond type
Egon Willighagen
2009/11/04
Re: [Cdk-user] Aromatization & SDF bond type
Vincent Le Guilloux
2009/11/03
Re: [Cdk-user] Aromatization & SDF bond type
Rajarshi Guha
2009/11/03
[Cdk-user] Aromatization & SDF bond type
Vincent Le Guilloux
2009/10/26
Re: [Cdk-user] making a chemical database
Stefan Kuhn
2009/10/26
Re: [Cdk-user] making a chemical database
ramakaalia
2009/10/26
Re: [Cdk-user] making a chemical database
Stefan Kuhn
2009/10/26
[Cdk-user] making a chemical database
ramakaalia
2009/10/22
Re: [Cdk-user] installation
Rajarshi Guha
2009/10/22
[Cdk-user] installation
stanley5101
2009/10/11
[Cdk-user] MCS indices mapping
Tiqing Liu
2009/10/08
Re: [Cdk-user] Fwd: [InChI-discuss] Aromatic molecules
Vincent Le Guilloux
2009/10/08
Re: [Cdk-user] CML question
Angel Herráez
2009/10/08
Re: [Cdk-user] CML question
Egon Willighagen
2009/10/08
[Cdk-user] CML question
Mark Rijnbeek
2009/10/07
Re: [Cdk-user] SMARTS & SMILES
Egon Willighagen
2009/10/07
Re: [Cdk-user] SMARTS & SMILES
Rajarshi Guha
2009/10/07
Re: [Cdk-user] SMARTS & SMILES
Egon Willighagen
2009/10/07
Re: [Cdk-user] SMARTS & SMILES
Rajarshi Guha
2009/10/07
[Cdk-user] SMARTS & SMILES
remy d1
2009/10/01
[Cdk-user] Google Wave Invite: but you need to work on the CDK and the CDKitty robot
Egon Willighagen
2009/09/30
[Cdk-user] Fwd: [InChI-discuss] Aromatic molecules
Egon Willighagen
2009/09/29
Re: [Cdk-user] [JCP applet]Smiles and aromaticity
Egon Willighagen
2009/09/29
Re: [Cdk-user] [JCP applet]Smiles and aromaticity
Stefan Kuhn
2009/09/29
[Cdk-user] [JCP applet]Smiles and aromaticity
remy d1
2009/09/27
Re: [Cdk-user] Build CDK in NetBeans
Vincent Le Guilloux
2009/09/26
[Cdk-user] Build CDK in NetBeans
Andrzej Okuniewski
2009/09/25
[Cdk-user] New release of Cinfony with CDK 1.2.3
Noel O'Boyle
2009/09/23
Re: [Cdk-user] Get image from JCP applet
remy d1
2009/09/23
[Cdk-user] Fwd: Re: Get image from JCP applet
Stefan Kuhn
2009/09/23
[Cdk-user] you've got wild ideas? enter them on this forum
Egon Willighagen
2009/09/23
Re: [Cdk-user] Get image from JCP applet
remy d1
2009/09/23
Re: [Cdk-user] Get image from JCP applet
remy d1
2009/09/22
Re: [Cdk-user] Get image from JCP applet
Stefan Kuhn
2009/09/20
Re: [Cdk-user] Get image from JCP applet
remy d1
2009/09/18
Re: [Cdk-user] Get image from JCP applet
Angel Herráez
2009/09/18
Re: [Cdk-user] re garding smarts searching performance
Rajarshi Guha
2009/09/17
[Cdk-user] re garding smarts searching performance
sapana
2009/09/17
Re: [Cdk-user] problem related to smarts searching performance??
Rajarshi Guha
2009/09/17
Re: [Cdk-user] Get image from JCP applet
remy d1
2009/09/17
Re: [Cdk-user] Get image from JCP applet
Stefan Kuhn
2009/09/17
[Cdk-user] problem related to smarts searching performance??
suyog
2009/09/17
[Cdk-user] Get image from JCP applet
remy d1
2009/09/17
Re: [Cdk-user] JCP applet editor options
remy d1
2009/09/17
Re: [Cdk-user] JCP applet editor options
remy d1
2009/09/16
Re: [Cdk-user] JCP applet editor options
Stefan Kuhn
2009/09/16
Re: [Cdk-user] JCP applet editor options
remy d1
2009/09/15
Re: [Cdk-user] CDK 20060714 released
suyog
2009/09/15
Re: [Cdk-user] JCP applet editor options
Stefan Kuhn
2009/09/15
Re: [Cdk-user] JCP applet editor options
remy d1
2009/09/15
Re: [Cdk-user] JCP applet editor options
Stefan Kuhn
2009/09/15
Re: [Cdk-user] JCP applet editor options
remy d1
2009/09/15
Re: [Cdk-user] JCP applet editor options
Stefan Kuhn
2009/09/15
[Cdk-user] JCP applet editor options
remy d1
2009/09/14
Re: [Cdk-user] Question about Renderer2DModel.setBackColor and Renderer2DModel fonts
Egon Willighagen
2009/09/14
[Cdk-user] Question about Renderer2DModel.setBackColor and Renderer2DModel fonts
Scooter Morris
2009/09/13
Re: [Cdk-user] calculating all possible bond distances between the two Functional Groups???
suyog
2009/09/10
Re: [Cdk-user] Cyclic atom perception
Egon Willighagen
2009/09/10
Re: [Cdk-user] Cyclic atom perception
Vincent Le Guilloux
2009/09/09
Re: [Cdk-user] Cyclic atom perception
Egon Willighagen
2009/09/09
Re: [Cdk-user] Cyclic atom perception
Christoph Steinbeck
2009/09/09
Re: [Cdk-user] Cyclic atom perception
Rajarshi Guha
2009/09/09
[Cdk-user] Cyclic atom perception
Vincent Le Guilloux
2009/09/07
Re: [Cdk-user] SMARTSParser.jjt error
Syed Asad Rahman
2009/09/07
Re: [Cdk-user] SMARTSParser.jjt error
Rajarshi Guha
2009/09/07
Re: [Cdk-user] SMARTSParser.jjt error
Rajarshi Guha
2009/09/07
Re: [Cdk-user] SMARTSParser.jjt error
Egon Willighagen
2009/09/07
[Cdk-user] SMARTSParser.jjt error
Syed Asad Rahman
2009/09/06
Re: [Cdk-user] CDK bonds rendering
Egon Willighagen
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Rajarshi Guha
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Nina Jeliazkova
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Egon Willighagen
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Nina Jeliazkova
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Nina Jeliazkova
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Tobias Girschick
2009/09/02
Re: [Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Tobias Girschick
2009/09/02
[Cdk-user] Problem with org.openscience.cdk.qsar.DescriptorEngine and Java WebStart
Tobias Girschick
2009/09/02
[Cdk-user] Problem reading SDF
Tobias Girschick
2009/09/01
Re: [Cdk-user] Removing explicit hydrogens
Egon Willighagen
2009/09/01
[Cdk-user] Removing explicit hydrogens
Thorsten Meinl
2009/08/29
[Cdk-user] Anyone in Frankfurt on Monday Afternoon?
Egon Willighagen
2009/08/28
Re: [Cdk-user] [Cdk-devel] Valence
Stefan Kuhn
2009/08/27
Re: [Cdk-user] CDK API not available online???
Egon Willighagen
2009/08/27
Re: [Cdk-user] CDK API not available online???
suyog
2009/08/24
Re: [Cdk-user] [Cdk-devel] Valence
Egon Willighagen
2009/08/24
Re: [Cdk-user] [Cdk-devel] Valence
Stefan Kuhn
2009/08/24
Re: [Cdk-user] [Cdk-devel] Valence
Egon Willighagen
2009/08/24
Re: [Cdk-user] properties in an SD file?
Egon Willighagen
2009/08/23
[Cdk-user] properties in an SD file?
Rajarshi Guha
2009/08/18
Re: [Cdk-user] String into java.io.InputStream
gilleain torrance
2009/08/18
[Cdk-user] String into java.io.InputStream
David Hall
2009/08/14
Re: [Cdk-user] CDK API not available online???
Rajarshi Guha
2009/08/14
Re: [Cdk-user] CDK API not available online???
suyog
2009/08/14
Re: [Cdk-user] calculating all possible bond distances between the two Functional Groups???
Rajarshi Guha
2009/08/14
[Cdk-user] calculating all possible bond distances between the two Functional Groups???
suyog
2009/08/11
Re: [Cdk-user] CDK API not available online???
Egon Willighagen
2009/08/11
[Cdk-user] CDK API not available online???
suyog
2009/08/06
Re: [Cdk-user] SMARTS search with fingerprints
Rajarshi Guha
2009/08/06
[Cdk-user] SMARTS search with fingerprints
nlskrg
2009/07/31
[Cdk-user] New development cycle: 1.3.x
Egon Willighagen
2009/07/27
Re: [Cdk-user] Writing sd-file for RingSet
Egon Willighagen
2009/07/27
[Cdk-user] Writing sd-file for RingSet
Peter Maas
2009/07/21
[Cdk-user] SMARTS matching and aromaticity detection
Loren Lenzen
2009/07/17
[Cdk-user] Fwd: [Cdk-jchempaint] Two questions on class changes
Egon Willighagen
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Egon Willighagen
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Stefan Kuhn
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Egon Willighagen
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Noel O'Boyle
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Egon Willighagen
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Egon Willighagen
2009/07/10
Re: [Cdk-user] Changes in default cdk fingerprint
Christoph Steinbeck
2009/07/10
[Cdk-user] Changes in default cdk fingerprint
Noel O'Boyle
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Egon Willighagen
2009/07/08
Re: [Cdk-user] nice tool employing CDK
gilleain torrance
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Egon Willighagen
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Egon Willighagen
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Rajarshi Guha
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Rajarshi Guha
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Egon Willighagen
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Egon Willighagen
2009/07/08
Re: [Cdk-user] nice tool employing CDK
Noel O'Boyle
2009/07/08
[Cdk-user] nice tool employing CDK
Rajarshi Guha
2009/07/06
[Cdk-user] Using PDBReader to access a ligand in a PDB file
Pablo Moreno
2009/07/06
[Cdk-user] Avoiding cofactors when loading molecules from sdf file
Thomas Greve Kristensen
2009/07/06
[Cdk-user] New Version of SMSD (Small Molecule Subgraph Detector) v4.0beta
Syed Asad Rahman
2009/07/06
Re: [Cdk-user] cdk/rcdk alogp question
Xin Gong
2009/07/02
Re: [Cdk-user] cdk/rcdk alogp question
Egon Willighagen
2009/07/02
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/07/02
Re: [Cdk-user] How identify douplicate molecules???
Christoph Steinbeck
2009/07/02
Re: [Cdk-user] How identify douplicate molecules???
Rajarshi Guha
2009/07/02
Re: [Cdk-user] How identify douplicate molecules???
Xin Gong
2009/07/02
Re: [Cdk-user] How identify douplicate molecules???
gilleain torrance
2009/07/02
[Cdk-user] How identify douplicate molecules???
suyog
2009/07/02
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/07/01
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
Egon Willighagen
2009/07/01
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/07/01
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/07/01
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/07/01
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/07/01
Re: [Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
Egon Willighagen
2009/07/01
[Cdk-user] Descriptor Values differences from SMILES and from MDL molfile
sebi
2009/06/30
Re: [Cdk-user] jchempaint-primary
Egon Willighagen
2009/06/30
[Cdk-user] jchempaint-primary
sebi
2009/06/30
[Cdk-user] Making patch; Attribution; Copyright and License.
Egon Willighagen
2009/06/16
Re: [Cdk-user] CDK equivalents for MOE SMARTS expressions?
Sam Adams
2009/06/16
Re: [Cdk-user] CDK equivalents for MOE SMARTS expressions?
Vincent Le Guilloux
2009/06/16
Re: [Cdk-user] CDK equivalents for MOE SMARTS expressions?
Egon Willighagen
2009/06/16
Re: [Cdk-user] CDK equivalents for MOE SMARTS expressions?
Sam Adams
2009/06/15
Re: [Cdk-user] Hosting CDK on Google App Engine
charlie zhu
2009/06/15
Re: [Cdk-user] Hosting CDK on Google App Engine
Rajarshi Guha
2009/06/15
[Cdk-user] CDK equivalents for MOE SMARTS expressions?
Egon Willighagen
2009/06/15
Re: [Cdk-user] Hosting CDK on Google App Engine
Dieter Krachtus
2009/06/15
Re: [Cdk-user] Hosting CDK on Google App Engine
Christoph Steinbeck
2009/06/15
Re: [Cdk-user] Hosting CDK on Google App Engine
Duan Lian
2009/06/15
Re: [Cdk-user] Hosting CDK on Google App Engine
Duan Lian
2009/06/14
[Cdk-user] Hosting CDK on Google App Engine
charlie zhu
2009/06/12
[Cdk-user] cdk/rcdk alogp question
Xin Gong
2009/06/09
Re: [Cdk-user] SMARTS Parser
Rajarshi Guha
2009/06/04
Re: [Cdk-user] SMARTS Parser
Egon Willighagen
2009/06/02
[Cdk-user] CDK descriptors Explicte Hydrogens as parameter?
Peter Maas
2009/06/02
[Cdk-user] thread-safety and DefaultChemObjectBuilder
Egon Willighagen
2009/05/29
Re: [Cdk-user] Exception with descriptor Ionization potential
Egon Willighagen
2009/05/29
Re: [Cdk-user] Exception with descriptor Ionization potential
Vincent Le Guilloux
2009/05/29
Re: [Cdk-user] Exception with descriptor Ionization potential
Egon Willighagen
2009/05/29
[Cdk-user] Exception with descriptor Ionization potential
Vincent Le Guilloux
Earlier messages
Later messages