On a benchmark of 250251 compounds in the NCI00 database, mol2nam
is able to convert 234297 structures (93.62%) to names without BLAH.
Of these 234297 names, nam2mol is able to convert 231566 (98.83%)
back into structures.
This release includes a significant number of improvements to both
name generation and name parsing. Several bugs have also been fixed.
The name parsing conversion rate for the 71367 compound names in the
2003 Maybridge catalog is now up to 95.24%.
Several improvements have been made to the specification of CIP
stereochemistry during name generation. For example, previously linking
groups such as amidino, carbamimidoyl and diazenyl
would forget to specify E/Z descriptors if they contained a chiral double
bond with specified stereochemistry. We would also fail to place some
chiral prefixes such as (E)-styrl and (Z)-cinnamyl in
brackets which can lead to ambiguity when interpreting the generated name.