MolProp TK 2.2.1¶
Major bug fixes¶
OEGetXLogPwill no longer return garbage data in the per atom data array whenever molecules with deleted atoms are passed to the function.
OEFiltercarboxylic acid pattern will now match formic acid, formic esters, and formic thioesters with implicit hydrogens. Previously, explicit hydrogens were required on the molecule.
Minor bug fixes¶
Removed unbounded stack allocations.