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Published April 25, 2021 | Version bacting-0.0.16
Software Open

egonw/bacting: Bacting 0.0.16

Authors/Creators

  • 1. @BiGCAT-UM

Description

This release fixes a few JavaDoc issues, and adds two methods that needed to be ported to allow comparing chemical structures from the new CAS Common Chemistry with Wikidata (doi:10.5281/zenodo.4682767).

Cheminformatics managers

  • cdk.isValidCAS(String)
  • cdk.partition(IMolecule molecule) (which returns a List<IAtomContainer>)

Files

egonw/bacting-bacting-0.0.16.zip

Files (138.0 kB)

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md5:0c4b0569012b81a888ad151bfd4bb074
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Additional details

Related works

Is supplement to
https://github.com/egonw/bacting/tree/bacting-0.0.16 (URL)