MolProp TK 2.4.4¶
Minor bug fixes¶
- The definition for the SMARTS for the CBoring (straight-chain alkane) fragment in the filter fragment set has been changed from [CR0H2][CH2][CH2][CH2,H3] to [CR0H2][CH2][CH2][CH2,CH3]. Previously, it could erroneously match a heteroatom at the last position.
- Minor corrections to the bibliography have been made.