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Navigation: Freeware Home - Development - Components & Libraries - Chemistry Development Kit

Chemistry Development Kit 1.5.0 Dev freeware     Save this freeware to your freeware selection - Saved Freeware

(1 rating)

Author

The CDK Project
OS WinXP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64
Date Released March 25, 2012
Downloads 192
Filesize 26.80 MB
Keywords Java library, chemoInformatics library, bioinformatics library, chemistry, chemoinformatics, bioinformatics
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Chemistry Development Kit is now developed by more than 40 developers all over the world and used in more than 10 different academic as well as industrial projects world wide. ...

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Descriptor - Chemistry Development Kit freeware - The Latest Versions History

Version Date Released Status Release Notes
1.5.0 Dev Jan 10, 2012 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
· Added control 'isref' creating a CML with reaction a
1.4.7 Jan 4, 2012 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
· Added control 'isref' creating a CML with reaction a
1.4.6 Dec 1, 2011 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
· Added control 'isref' creating a CML with reaction a
1.4.5 Nov 2, 2011 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
· Added control 'isref' creating a CML with reaction a
1.4.4 Sep 30, 2011 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
1.4.2 Aug 24, 2011 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
1.4.1 Jul 26, 2011 New Release · Updated JavaDoc to explicitly state that g2 must be a substructure of g1
· More unit tests for the MCSS problem in bug report 2944080.
· Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader
· Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader.
· Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too.
· Added missing dependency, fixing the unit test reading a file from data /
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· added working implementations for PartialFilledStructureMerger and CrossoverMachine
· tests for crossover machine and PartialFilledStructureMerger
· tests for crossover machine and PartialFilledStructureMerger
· added dependency
· Fixed use of global isRef variable, to make it threading-safe
· Added control 'isref' creating a CML with reaction a


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Chemistry Development Kit 1.5.0 Dev freeware download


... blown chemoinformatics package with code reaching from QSAR descriptor calculations to 2D and 3D model building. Programs like the 2D structure editor NMRShiftDB and JChemPaint, a database of organic molecules and their NMR spectra are based on the Chemistry Development Kit (CDK). ...
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