MolProp TK 2.2.2

Minor bug fixes

  • Typecheck functionality, OEFilter.SetTypeCheck, has been changed such that hexavalent sulfur (matching SMARTS [Sv6D6]) will now be an acceptable atom type.

Documentation fixes

  • The linear regression constant used by OEGetXLogP is now documented.
  • PDF documentation should no longer throw warnings about “bad /BBox” in some PDF readers.