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Navigation: Home \ Development \ Components & Libraries \ Chemistry Development Kit

Chemistry Development Kit

 1.5.6 Dev   by The CDK Project

Vista Compatible
Software Description:
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. ... Download Chemistry Development Kit


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Best Vista Download periodically updates pricing and software information of Chemistry Development Kit full version from the publisher, but some information may be out-of-date. You should confirm all information.
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Released: April 30, 2014
Filesize: 26.80 MB
Platform: Windows XP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64
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Chemistry Development Kit

- Releases History
Software: Chemistry Development Kit 1.5.6 Dev
Date Released: Apr 30, 2014
Status: New Release
Release Notes: 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 and list molecules
Software: Chemistry Development Kit 1.5.2 Dev
Date Released: May 2, 2013
Status: New Release
Release Notes: · 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
Software: Chemistry Development Kit 1.5.1 Dev
Date Released: Oct 9, 2012
Status: New Release
Release Notes: · 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 1.5.6 Dev download by The CDK Project
... In the past four years, the CDK library evolved into a fully blown chemoinformatics package with code reaching from QSAR descriptor calculations to 2D and 3D model building. Programs ...
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Chemistry Development Kit