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[Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
John M
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
John M
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
John M
[Cdk-user] Interest in metabolic reaction depictions.
John M
Re: [Cdk-user] Interest in metabolic reaction depictions.
John M
Re: [Cdk-user] Interest in metabolic reaction depictions.
Christoph Steinbeck
Re: [Cdk-user] Interest in metabolic reaction depictions.
Egon Willighagen
[Cdk-user] CDK
halouma nice
Re: [Cdk-user] create amino acide
John M
Re: [Cdk-user] create amino acide
Egon Willighagen
Re: [Cdk-user] create amino acide
John M
Re: [Cdk-user] create amino acide
hanouna nouna
Re: [Cdk-user] create amino acide
John M
Re: [Cdk-user] create amino acide
John M
Re: [Cdk-user] create amino acide
hanouna nouna
Re: [Cdk-user] create amino acide
John M
Re: [Cdk-user] create amino acide
hanouna nouna
Re: [Cdk-user] create amino acide
John M
[Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found
Yannick .Djoumbou
Re: [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found
John M
Re: [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found
John M
Re: [Cdk-user] Cdk-user Digest, Vol 116, Issue 3
hanouna nouna
[Cdk-user] CDK Release 1.5.14
John M
Re: [Cdk-user] [Cdk-devel] CDK Release 1.5.14
Egon Willighagen
[Cdk-user] instalation of cdk
hanouna nouna
Re: [Cdk-user] probleme of instalation of cdk
jay patel
Re: [Cdk-user] probleme of instalation of cdk
hanouna nouna
Re: [Cdk-user] probleme of instalation of cdk
hanouna nouna
Re: [Cdk-user] probleme of instalation of cdk
jay patel
[Cdk-user] how to ask a question
hanouna nouna
[Cdk-user] my email
hanouna nouna
[Cdk-user] Reaction depiction
Scooter Morris
Re: [Cdk-user] Reaction depiction
John M
Re: [Cdk-user] Reaction depiction
John M
Re: [Cdk-user] Reaction depiction
John M
Re: [Cdk-user] Reaction depiction
Scooter Morris
[Cdk-user] Two Google Summer of Code projects related to the CDK
Egon Willighagen
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Geoffrey Hutchison
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Egon Willighagen
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Greg Landrum
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Egon Willighagen
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Robert Hanson
[Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Zheng Shi
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Rajarshi Guha
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Zheng Shi
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Rajarshi Guha
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Yannick .Djoumbou
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Rajarshi Guha
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Yannick .Djoumbou
[Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
[Cdk-user] Fwd: Clarification about LargestChainDescriptor behavior
John M
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
[Cdk-user] Writing SMARTS
cruttkie
Re: [Cdk-user] Writing SMARTS
John M
Re: [Cdk-user] Writing SMARTS
cruttkie
[Cdk-user] ICountFingerprint usage question
Nina Jeliazkova
Re: [Cdk-user] ICountFingerprint usage question
John M
Re: [Cdk-user] ICountFingerprint usage question
Nina Jeliazkova
Re: [Cdk-user] ICountFingerprint usage question
John M
Re: [Cdk-user] ICountFingerprint usage question
Nina Jeliazkova
Re: [Cdk-user] ICountFingerprint usage question
John M
Re: [Cdk-user] [Cdk-devel] ICountFingerprint usage question
Syed Asad Rahman
[Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
Re: [Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
Re: [Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
Re: [Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
[Cdk-user] Hydrogen display with DepictionGenerator
Tim Dudgeon
Re: [Cdk-user] Hydrogen display with DepictionGenerator
John M
Re: [Cdk-user] Hydrogen display with DepictionGenerator
Tim Dudgeon
Re: [Cdk-user] Hydrogen display with DepictionGenerator
John M
Re: [Cdk-user] Hydrogen display with DepictionGenerator
Tim Dudgeon
Re: [Cdk-user] Hydrogen display with DepictionGenerator
John M
[Cdk-user] inconsistency in ready molfiles
Tim Dudgeon
Re: [Cdk-user] inconsistency in ready molfiles
John M
Re: [Cdk-user] inconsistency in ready molfiles
Egon Willighagen
Re: [Cdk-user] inconsistency in ready molfiles
Tim Dudgeon
Re: [Cdk-user] computing numerical surface for molecules whose atoms don't have any coordinates using CDK
Rajarshi Guha
[Cdk-user] SDFile Renderer
Felix Bänsch
Re: [Cdk-user] SDFile Renderer
John M
Re: [Cdk-user] SDFile Renderer
John M
Re: [Cdk-user] SDFile Renderer
John M
Re: [Cdk-user] SDFile Renderer
John M
[Cdk-user] CDK code migration guides
Egon Willighagen
[Cdk-user] Preserving public API
John M
Re: [Cdk-user] [Cdk-devel] Preserving public API
Egon Willighagen
Re: [Cdk-user] [Cdk-devel] Preserving public API
Rajarshi Guha
Re: [Cdk-user] [Cdk-devel] Preserving public API
Egon Willighagen
Re: [Cdk-user] [Cdk-devel] Preserving public API
Rajarshi Guha
[Cdk-user] Free (old) copy of Groovy Cheminformatics with the CDK
Egon Willighagen
[Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models
杜宇
Re: [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models
Egon Willighagen
Re: [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models
Du, Yu
[Cdk-user] CDK Release 1.5.12
John M
[Cdk-user] canonical chiral smiles with free electron pair
Lina Humbeck
Re: [Cdk-user] canonical chiral smiles with free electron pair
John M
Re: [Cdk-user] canonical chiral smiles with free electron pair
Lina Humbeck
Re: [Cdk-user] canonical chiral smiles with free electron pair
John M
Re: [Cdk-user] canonical chiral smiles with free electron pair
John M
[Cdk-user] absolute smiles error?
Martin Gütlein
Re: [Cdk-user] absolute smiles error?
John M
[Cdk-user] unsubscribe
Mark Southern
[Cdk-user] Feedback about CDK 1.4 to 1.5 Migration
Till Schäfer
Re: [Cdk-user] Feedback about CDK 1.4 to 1.5 Migration
Egon Willighagen
[Cdk-user] retain unfilled valences
Martin Gütlein
Re: [Cdk-user] retain unfilled valences
John M
Re: [Cdk-user] retain unfilled valences
Martin Gütlein
[Cdk-user] no aromaticity detected for compound O=s1cncc1
Martin Gütlein
Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1
John M
Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1
Martin Gütlein
Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1
John M
[Cdk-user] Fingerprints in 1.4 und 1.5
Till Schäfer
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Egon Willighagen
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Till Schäfer
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Till Schäfer
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Egon Willighagen
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
John M
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Egon Willighagen
[Cdk-user] CDK Depict
John M
Re: [Cdk-user] CDK Depict
Ola Spjuth
Re: [Cdk-user] CDK Depict
Rajarshi Guha
Re: [Cdk-user] CDK Depict
Christoph Steinbeck
Re: [Cdk-user] CDK Depict
Egon Willighagen
Re: [Cdk-user] CDK Depict
Christoph Steinbeck
Re: [Cdk-user] CDK Depict
John May
Re: [Cdk-user] CDK Depict
Egon Willighagen
Re: [Cdk-user] CDK Depict
John M
Re: [Cdk-user] CDK Depict
Rajarshi Guha
[Cdk-user] Deprotonation of Carboxylic Acids
Schmid Emanuel (ID SIS)
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
[Cdk-user] Molecule Validation
Schmid Emanuel (ID SIS)
Re: [Cdk-user] Molecule Validation
John M
Re: [Cdk-user] Molecule Validation
Schmid Emanuel (ID SIS)
[Cdk-user] molfile Sgroups
John M
Re: [Cdk-user] [Cdk-devel] molfile Sgroups
Syed Asad Rahman
[Cdk-user] inchi conversion changes compound
Martin Gütlein
Re: [Cdk-user] inchi conversion changes compound
John M
Re: [Cdk-user] inchi conversion changes compound
John M
Re: [Cdk-user] inchi conversion changes compound
John M
Re: [Cdk-user] inchi conversion changes compound
Martin Gütlein
Re: [Cdk-user] inchi conversion changes compound
John M
[Cdk-user] CDK 1.5.11
John M
Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings
John M
Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings
John M
Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings
Egon Willighagen
Re: [Cdk-user] IChemObjectListener
John M
Re: [Cdk-user] IChemObjectListener
Edmund Duesbury
Re: [Cdk-user] IChemObjectListener
Edmund Duesbury
Re: [Cdk-user] IChemObjectListener
John M
Re: [Cdk-user] IChemObjectListener
Edmund Duesbury
[Cdk-user] Reading left and right of SmartsAtom
T. V. Siva Kumar
Re: [Cdk-user] Reading left and right of SmartsAtom
John M
[Cdk-user] problems with calculating partial charge with cdk
Zheng Shi
Re: [Cdk-user] problems with calculating partial charge with cdk
John M
Re: [Cdk-user] problems with calculating partial charge with cdk
Zheng Shi
[Cdk-user] Fragment smiles in a molecule
T. V. Siva Kumar
Re: [Cdk-user] Fragment smiles in a molecule
Rajarshi Guha
[Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Zheng Shi
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Zheng Shi
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John K. Sterling
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Egon Willighagen
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Zheng Shi
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Egon Willighagen
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
[Cdk-user] Generating smiles / query smarts string for QueryAtomContainer
T. V. Siva Kumar
Re: [Cdk-user] Generating smiles / query smarts string for QueryAtomContainer
John M
[Cdk-user] Regarding IteratingMDLReader in Cdk1.5
T. V. Siva Kumar
Re: [Cdk-user] Regarding IteratingMDLReader in Cdk1.5
Egon Willighagen
[Cdk-user] Metabolomics 2015
Egon Willighagen
[Cdk-user] Java code for enrichment assessment of virtual screening approaches
Syed Asad Rahman
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