I have a problem to calculate XlogP value from SMILES strings.
To calculate such as XLogPDescriptor, cdk-20060714 uses IAtomContainer class
though cdk-20050826 uses AtomContainer.
On the other hands, IteratingSMILESReader returns Molecule.
I am not familiar with JAVA and CDK, I really appreciate if some one teach
me a method for convert Molecule to IMolecule or IAtomContainer.
Thanks in advance.