Version 2.5

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Release date: 19 September 2014

Changes - GUI Improvements (mainly wizard)

  • Simplify first wizard step: removed textfield, moved "import settings" next to "open file" button (some users had problems importing wizard setting files)
  • Also first wizard step: recently opened "wizard settings" list is now available via drop down menu
  • Feature extraction wizard step: MoSS Fragment mining is now marked as slow (with the hint to increase the min-frequency)
  • Embedding/clustering wizard step: distance/similarity measures do now have an explanation including formula (used, e.g., for sammon embedding)
  • Embedding/clustering wizard step: checking if distance/similarity measures is applicable (e.g. tanimoto not applicable for numerical (pc)-descriptors)
  • Viewer: add hint on how to export data in CSV format (users reported problems)
  • Viewer: add "Show" Button to SMARTS fragments, clicking this button visualizes SMARTS fragments with (see here)


  • Fixed seldom that occured when restarting
  • Fixed a rare error that caused skipping embedding/clustering even though 'Yes' was selected in the wizard step
  • Fixed aborting MoSS fragment mining (does not keep running in background any more)