OEMedChem TK 1.0.6

New features

• A new status return has been added to indicate when a molecule submitted for indexing by OEMCSFragDatabase has no fragmentation bonds (e.g., is a complete ring system without non-ring substituents). The new constant returned is OEMatchedPairIndexStatus_NoFragmentationBonds.

Minor bug fixes

• An issue with hydrogen atoms on input molecules used with OEApplyChEMBL18SolubilityTransforms has been fixed. This function is now tolerant of explicit hydrogen atoms on the input molecule.