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@mmzdouc mmzdouc released this 08 Oct 13:54
· 18 commits to main since this release
59184c0

[1.4] 08-10-2024

Added

  • CLI: returns exit code 0 when file passes, returns 1 if file does not pass

Changed

  • schema/entry: removed "quality" flag due to lack of objectiveness (all MITE entries were set to medium; difficult to define quality objectively)
  • schema/reactions: removed "isBalanced" flag since this information is already contained in the reaction SMARTS/SMILES
  • schema/reactions: removed "isIterative" flag: was not used by any entry so far, reaction SMARTS can be applied