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.