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
OEApplyChEMBL18SolubilityTransformshas been fixed. This function is now tolerant of explicit hydrogen atoms on the input molecule.