Lexichem TK 2.7.4

Fall 2021

New features

• Support for common alkaloid name conversion to SMILES was added.

Major bug fixes

• A bug where isotopes were not labeled on certain ring substituents when naming molecules or SMILES has been fixed.

Minor bug fixes

• A bug where pyrazole ring substituents were not numbered correctly has been fixed.

• A bug where reaction input was incorrectly parsed into a single molecule has been fixed so that reaction input is now rejected as invalid in the name to molecule workflow.

• A bug where primary amines with non-IUPAC names, such as methylethylamine, were incorrectly parsed into SMILES has been fixed.