Messages by Date
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2010/06/24
Re: [Cdk-user] Activity values from Pubchem BioAssay?
Rajarshi Guha
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2010/06/24
[Cdk-user] Activity values from Pubchem BioAssay?
Yogesh
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2010/06/23
Re: [Cdk-user] Installation of cdk
Jules Kerssemakers
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2010/06/21
Re: [Cdk-user] Installation of cdk
Gurusaran M
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2010/06/19
Re: [Cdk-user] error with rcdk/fingerprint
Rajarshi Guha
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2010/06/19
Re: [Cdk-user] error with rcdk/fingerprint
Egon Willighagen
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2010/06/19
Re: [Cdk-user] error with rcdk/fingerprint
Rajarshi Guha
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2010/06/19
Re: [Cdk-user] error with rcdk/fingerprint
Egon Willighagen
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2010/06/19
[Cdk-user] error with rcdk/fingerprint
Egon Willighagen
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2010/06/17
[Cdk-user] a few new patches open for review
Egon Willighagen
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2010/06/16
Re: [Cdk-user] query
Egon Willighagen
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2010/06/15
Re: [Cdk-user] query
Egon Willighagen
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2010/06/15
Re: [Cdk-user] query
Egon Willighagen
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2010/06/15
Re: [Cdk-user] query
Egon Willighagen
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2010/06/15
[Cdk-user] query
deep_kumar
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2010/06/14
Re: [Cdk-user] new user & question about stereochemistry handling
Jules Kerssemakers
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2010/06/14
Re: [Cdk-user] new user & question about stereochemistry handling
Egon Willighagen
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2010/06/14
[Cdk-user] new user & question about stereochemistry handling
Jules Kerssemakers
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2010/06/10
Re: [Cdk-user] isomeric SMILES support
Dmitry Pavlov
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2010/06/09
[Cdk-user] isomeric SMILES support
Joanna Sharman
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2010/06/09
Re: [Cdk-user] a NullPointerException exception to read a sdf which contains bond up or down compound
Egon Willighagen
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2010/06/09
Re: [Cdk-user] Missing Renderer2D
Egon Willighagen
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2010/06/03
Re: [Cdk-user] CDK-JChemPaint patch 10 released
Egon Willighagen
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2010/06/03
[Cdk-user] CDK-JChemPaint patch 10 released
Egon Willighagen
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2010/06/02
[Cdk-user] ChEBI user workshop, 23rd and 24th June 2010, Hinxton, Cambridge, UK
Christoph Steinbeck
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2010/06/01
Re: [Cdk-user] Error in CDKAtomTypeMatcher
Egon Willighagen
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2010/06/01
[Cdk-user] Error in CDKAtomTypeMatcher
Özgür Demir
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2010/06/01
Re: [Cdk-user] rendering 2D images
Egon Willighagen
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2010/06/01
[Cdk-user] rendering 2D images
Adel Golovin
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2010/05/31
Re: [Cdk-user] Generating molecule conformations in CDK?
Ola Spjuth
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2010/05/31
Re: [Cdk-user] Generating molecule conformations in CDK?
Rajarshi Guha
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2010/05/31
[Cdk-user] Generating molecule conformations in CDK?
Thomas G. Kristensen
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2010/05/19
Re: [Cdk-user] Aromaticity and amide groups
Egon Willighagen
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2010/05/19
Re: [Cdk-user] Aromaticity and amide groups
Christoph Steinbeck
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2010/05/18
Re: [Cdk-user] Surface
Egon Willighagen
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2010/05/18
Re: [Cdk-user] Surface
Rajarshi Guha
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2010/05/18
Re: [Cdk-user] Aromaticity and amide groups
Egon Willighagen
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2010/05/18
Re: [Cdk-user] Surface
Egon Willighagen
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2010/05/18
Re: [Cdk-user] Surface
Rajarshi Guha
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2010/05/18
Re: [Cdk-user] Surface
JEAN MARC NUZILLARD
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2010/05/18
Re: [Cdk-user] Surface
JEAN MARC NUZILLARD
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2010/05/18
Re: [Cdk-user] Surface
Rajarshi Guha
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2010/05/18
[Cdk-user] Aromaticity and amide groups
Mark Rijnbeek
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2010/05/18
Re: [Cdk-user] Surface
JEAN MARC NUZILLARD
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2010/05/17
Re: [Cdk-user] Surface
Egon Willighagen
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2010/05/17
[Cdk-user] Surface
JEAN MARC NUZILLARD
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2010/05/09
[Cdk-user] a NullPointerException exception to read a sdf which contains bond up or down compound
周锐
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2010/05/07
Re: [Cdk-user] [Cdk-devel] strange implicit/explicit H bug
Egon Willighagen
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2010/05/07
Re: [Cdk-user] [Cdk-devel] strange implicit/explicit H bug
Rajarshi Guha
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2010/05/07
Re: [Cdk-user] [Cdk-devel] strange implicit/explicit H bug
Noel O'Boyle
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2010/05/06
Re: [Cdk-user] [Cdk-devel] strange implicit/explicit H bug
Egon Willighagen
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2010/04/29
[Cdk-user] fragmenter question
Rajarshi Guha
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2010/04/26
Re: [Cdk-user] using IAtomParity?
Egon Willighagen
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2010/04/26
Re: [Cdk-user] using IAtomParity?
Noel O'Boyle
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2010/04/26
[Cdk-user] using IAtomParity?
Egon Willighagen
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2010/04/22
[Cdk-user] molecular weight
Rajarshi Guha
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2010/04/18
Re: [Cdk-user] MMFF4 function
Christoph Steinbeck
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2010/04/17
Re: [Cdk-user] [Cdk-devel] Where is org.openscience.cdk.tools.Normalizer?
Stefan Kuhn
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2010/04/17
Re: [Cdk-user] [Cdk-devel] Where is org.openscience.cdk.tools.Normalizer?
Egon Willighagen
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2010/04/17
Re: [Cdk-user] MMFF4 function
Egon Willighagen
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2010/04/16
Re: [Cdk-user] LonePair/Radical rendering
Egon Willighagen
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2010/04/16
Re: [Cdk-user] LonePair/Radical rendering
Egon Willighagen
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2010/04/16
[Cdk-user] LonePair/Radical rendering
Sebastian Wolf
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2010/04/12
Re: [Cdk-user] JChemPaint embedded in Swing application
Nina Jeliazkova
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2010/04/12
Re: [Cdk-user] JChemPaint embedded in Swing application
Stefan Kuhn
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2010/04/10
Re: [Cdk-user] JChemPaint embedded in Swing application
Egon Willighagen
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2010/04/10
Re: [Cdk-user] JChemPaint embedded in Swing application
Nina Jeliazkova
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2010/04/10
Re: [Cdk-user] JChemPaint embedded in Swing application
Egon Willighagen
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2010/04/10
Re: [Cdk-user] example code to render molecules and reactions with CDK-JChemPaint 8
Egon Willighagen
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2010/04/09
Re: [Cdk-user] example code to render molecules and reactions with CDK-JChemPaint 8
Stefan Kuhn
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2010/04/09
[Cdk-user] Missing renderer
Oktay Degirmenci
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2010/04/09
Re: [Cdk-user] example code to render molecules and reactions with CDK-JChemPaint 8
Brian Gilman
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2010/04/09
[Cdk-user] jchempaint stereochemistry rendering
buffaloyan
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2010/04/09
[Cdk-user] Missing Renderer2D
Oggy
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2010/04/09
[Cdk-user] Missing Renderer2D
Oggy
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2010/04/09
Re: [Cdk-user] JChemPaint embedded in Swing application
Nina Jeliazkova
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2010/04/09
Re: [Cdk-user] JChemPaint embedded in Swing application
Egon Willighagen
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2010/04/09
Re: [Cdk-user] JChemPaint embedded in Swing application
Nina Jeliazkova
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2010/04/09
Re: [Cdk-user] JChemPaint embedded in Swing application
Stefan Kuhn
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2010/04/09
Re: [Cdk-user] MMFF4 function
Christoph Steinbeck
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2010/04/08
[Cdk-user] MMFF4 function
Douglas Restrepo
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2010/04/08
[Cdk-user] JChemPaint embedded in Swing application
Nina Jeliazkova
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2010/04/07
[Cdk-user] Maintainer needed: the CDK command line applications
Egon Willighagen
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Egon Willighagen
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Noel O'Boyle
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Egon Willighagen
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Noel O'Boyle
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Egon Willighagen
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Noel O'Boyle
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2010/04/06
Re: [Cdk-user] CDK release numbering system
Egon Willighagen
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2010/04/06
[Cdk-user] CDK release numbering system
Noel O'Boyle
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2010/04/05
[Cdk-user] example code to render molecules and reactions with CDK-JChemPaint 8
Egon Willighagen
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2010/03/29
[Cdk-user] paper announcement: CDK-Taverna: an open workflow environment for cheminformatics
Egon Willighagen
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2010/03/26
[Cdk-user] SMSD WEB start
Syed Asad Rahman
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2010/03/26
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
JEAN MARC NUZILLARD
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2010/03/26
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
JEAN MARC NUZILLARD
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2010/03/25
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
Noel O'Boyle
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2010/03/25
[Cdk-user] SDF writer errors
Vincent Le Guilloux
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2010/03/25
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
Sam Adams
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2010/03/25
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
JEAN MARC NUZILLARD
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2010/03/24
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
Christoph Steinbeck
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2010/03/24
[Cdk-user] SDF writer problem
Vincent Le Guilloux
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2010/03/23
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
gilleain torrance
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2010/03/23
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
JEAN MARC NUZILLARD
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2010/03/23
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
JEAN MARC NUZILLARD
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2010/03/23
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
Egon Willighagen
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2010/03/23
Re: [Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
gilleain torrance
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2010/03/22
[Cdk-user] Is the StructureDiagramGenerator algorithm deterministic?
JEAN MARC NUZILLARD
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2010/03/17
Re: [Cdk-user] Rendering Structures
Stefan Kuhn
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2010/03/17
[Cdk-user] Rendering Structures
Paul Dwinnell
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2010/03/09
Re: [Cdk-user] Subgraph Isomorphisms
Leonid Chepelev
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2010/03/09
Re: [Cdk-user] Subgraph Isomorphisms
nlskrg
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2010/03/09
Re: [Cdk-user] Subgraph Isomorphisms
Egon Willighagen
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2010/03/09
Re: [Cdk-user] Cdk-user Digest, Vol 46, Issue 3
gilleain torrance
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2010/03/09
Re: [Cdk-user] Cdk-user Digest, Vol 46, Issue 3
Syed Asad Rahman
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2010/03/08
Re: [Cdk-user] Subgraph Isomorphisms
gilleain torrance
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2010/03/08
Re: [Cdk-user] Subgraph Isomorphisms
Leonid Chepelev
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2010/03/08
Re: [Cdk-user] Subgraph Isomorphisms
Leonid Chepelev
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2010/03/08
Re: [Cdk-user] Subgraph Isomorphisms
gilleain torrance
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2010/03/08
[Cdk-user] Subgraph Isomorphisms
Leonid Chepelev
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2010/03/05
[Cdk-user] CDK 1.3.3 released
Egon Willighagen
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2010/02/25
Re: [Cdk-user] Regarding Smarts Matcher Performance.
markr
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2010/02/24
Re: [Cdk-user] Regarding Smarts Matcher Performance.
Rajarshi Guha
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2010/02/24
Re: [Cdk-user] Getting bonds from a IRingSet
Thomas G. Kristensen
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2010/02/24
Re: [Cdk-user] Regarding Smarts Matcher Performance.
Nina Jeliazkova
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2010/02/24
Re: [Cdk-user] Regarding Smarts Matcher Performance.
Nina Jeliazkova
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2010/02/24
Re: [Cdk-user] Regarding Smarts Matcher Performance.
Egon Willighagen
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2010/02/24
Re: [Cdk-user] Regarding Smarts Matcher Performance.
Egon Willighagen
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2010/02/24
Re: [Cdk-user] Regarding Smarts Matcher Performance.
Mark Rijnbeek
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2010/02/24
[Cdk-user] Regarding Smarts Matcher Performance.
sapana mehendale
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2010/02/24
Re: [Cdk-user] Getting bonds from a IRingSet
Egon Willighagen
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2010/02/23
Re: [Cdk-user] Getting bonds from a IRingSet
Rajarshi Guha
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2010/02/23
Re: [Cdk-user] Cdk-user Digest, Vol 45, Issue 9
Syed Asad Rahman
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2010/02/23
[Cdk-user] Getting bonds from a IRingSet
Thomas G. Kristensen
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2010/02/22
Re: [Cdk-user] Unique identifiers for a molecule
Thomas G. Kristensen
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2010/02/22
Re: [Cdk-user] Unique identifiers for a molecule
Rajarshi Guha
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2010/02/22
Re: [Cdk-user] Unique identifiers for a molecule
Thomas G. Kristensen
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2010/02/22
Re: [Cdk-user] Unique identifiers for a molecule
Rajarshi Guha
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2010/02/22
[Cdk-user] Unique identifiers for a molecule
Thomas G. Kristensen
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2010/02/21
Re: [Cdk-user] Failing parser?
Egon Willighagen
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2010/02/21
[Cdk-user] Failing parser?
Thomas G. Kristensen
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2010/02/15
Re: [Cdk-user] Eclipse bundles for CDK 1.3.2 and CDK-JChemPaint 3
Egon Willighagen
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2010/02/15
Re: [Cdk-user] Eclipse bundles for CDK 1.3.2 and CDK-JChemPaint 3
Thorsten Meinl
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2010/02/12
[Cdk-user] Eclipse bundles for CDK 1.3.2 and CDK-JChemPaint 3
Egon Willighagen
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2010/02/09
Re: [Cdk-user] Using JChemPaintEditor
Stefan Kuhn
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2010/02/08
Re: [Cdk-user] Using JChemPaintEditor
Egon Willighagen
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2010/02/05
[Cdk-user] Using JChemPaintEditor
Loren Lenzen
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2010/02/03
[Cdk-user] New releases: 1.2.5 and 1.3.2
Egon Willighagen
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2010/02/01
Re: [Cdk-user] Replacement for Renderer2D in CDK?
Egon Willighagen
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2010/02/01
Re: [Cdk-user] Replacement for Renderer2D in CDK?
Noel O'Boyle
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2010/01/27
Re: [Cdk-user] NaN values for some WHIM descriptors
Rajarshi Guha
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2010/01/27
Re: [Cdk-user] NaN values for some WHIM descriptors
Vincent Le Guilloux
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2010/01/26
[Cdk-user] Error in MolecularFormulaManipulator.getTotalMassNumber()
Scooter Morris
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2010/01/26
Re: [Cdk-user] NaN values for some WHIM descriptors
Rajarshi Guha
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2010/01/26
[Cdk-user] NaN values for some WHIM descriptors
Vincent Le Guilloux
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2010/01/26
Re: [Cdk-user] Replacement for Renderer2D in CDK?
Egon Willighagen
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2010/01/25
Re: [Cdk-user] Replacement for Renderer2D in CDK?
Stefan Kuhn
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2010/01/25
[Cdk-user] Replacement for Renderer2D in CDK?
Noel O'Boyle
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2010/01/14
Re: [Cdk-user] NPE in BasicAtomGenerator
Egon Willighagen
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2010/01/13
[Cdk-user] NPE in BasicAtomGenerator
Scooter Morris
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2010/01/13
Re: [Cdk-user] CDK descriptors list
Rajarshi Guha
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2010/01/13
Re: [Cdk-user] CDK descriptors list
Vincent Le Guilloux
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2010/01/12
Re: [Cdk-user] CDK/JRI (Java/R Interface) license incompatibility?
Moses Hohman
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2010/01/12
Re: [Cdk-user] CDK/JRI (Java/R Interface) license incompatibility?
Rajarshi Guha
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2010/01/12
Re: [Cdk-user] CDK/JRI (Java/R Interface) license incompatibility?
Egon Willighagen
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2010/01/12
Re: [Cdk-user] CDK/JRI (Java/R Interface) license incompatibility?
Rajarshi Guha
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2010/01/12
[Cdk-user] CDK/JRI (Java/R Interface) license incompatibility?
Moses Hohman
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2010/01/12
Re: [Cdk-user] CDK descriptors list
Rajarshi Guha
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2010/01/12
Re: [Cdk-user] Issues while importing CDK classes
Egon Willighagen
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2010/01/12
[Cdk-user] CDK descriptors list
Vincent Le Guilloux
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2010/01/11
[Cdk-user] Issues while importing CDK classes
Yannick Djoumbou
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2010/01/08
Re: [Cdk-user] Using CDK
sebastian.klemm
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2010/01/08
Re: [Cdk-user] Using CDK
sebastian.klemm
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2010/01/07
Re: [Cdk-user] Using CDK
Sulev Sild
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2010/01/07
[Cdk-user] Using CDK
Yannick Djoumbou
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2009/12/28
Re: [Cdk-user] Setting aromaticity flag with SMILESWriter
Egon Willighagen
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2009/12/20
Re: [Cdk-user] Setting aromaticity flag with SMILESWriter
Egon Willighagen
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2009/12/20
[Cdk-user] Setting aromaticity flag with SMILESWriter
Noel O'Boyle
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2009/12/15
[Cdk-user] Fwd: [Cdk-devel] Coordination bonds
Egon Willighagen
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2009/12/13
[Cdk-user] Current state of OpenBabel interface
Konstantin Tokarev
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2009/12/10
[Cdk-user] InChI working with JCP applet
Mark Rijnbeek
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2009/12/06
[Cdk-user] JChemPaint fork has no implication for CDK development collaboration
Egon Willighagen
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2009/12/04
Re: [Cdk-user] JChemPaint 3.0 ready
Miguel Rojas Cherto
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2009/12/04
Re: [Cdk-user] [Cdk-jchempaint] JChemPaint 3.0 ready
Egon Willighagen
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2009/12/03
Re: [Cdk-user] [Cdk-jchempaint] CDK and JCP
Egon Willighagen
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2009/12/03
Re: [Cdk-user] [Cdk-jchempaint] CDK and JCP
Vincent Le Guilloux
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2009/12/03
Re: [Cdk-user] [Cdk-jchempaint] CDK and JCP
Egon Willighagen
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2009/12/03
[Cdk-user] CDK and JCP
Vincent Le Guilloux
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2009/12/03
[Cdk-user] JChemPaint 3.0 ready
Stefan Kuhn
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2009/12/01
Re: [Cdk-user] Inchi terms in CDK
Egon Willighagen
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2009/12/01
[Cdk-user] Inchi terms in CDK
Neil Swainston
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2009/11/30
Re: [Cdk-user] line length 120?
Rajarshi Guha
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2009/11/30
[Cdk-user] line length 120?
Egon Willighagen
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2009/11/26
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 13
Egon Willighagen
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2009/11/26
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 13
Aziz Yasri
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2009/11/24
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 13
Mark Rijnbeek
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2009/11/20
Re: [Cdk-user] Cdk-user Digest, Vol 42, Issue 13
Aziz Yasri
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2009/11/20
Re: [Cdk-user] [Open Babel] New chemical software
Geoffrey Hutchison
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2009/11/20
[Cdk-user] New chemical software
remy d1
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2009/11/17
Re: [Cdk-user] Strange SMILES produced by CDK
Dmitry Pavlov