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.