MolProp TK 2.6.1

New features

  • A new free function, OECheckXLogXType, that returns true if an atom has a valid XLogPType has been added.

  • A new free function, OECheckXLogXTypes, that returns true if all atoms excluding hydrogen in a molecule have valid XLogP types has been added.

Minor bug fixes

  • An issue with filter output failure reporting, where failure due to the rules ALLOWED_ELEMENTS and ELIMINATE_METALS was not included in the output table, has been fixed.