Lexichem TK 1.3¶
On a benchmark of 250251 compounds in the NCI00 database,
mol2namis able to convert 221205 structures (88.39%) to names without BLAH. Of these 221205 names,
nam2molis able to convert 183444 (82.93%) back into structures.
The major announcement of this release is the support for stereochemistry in compound naming. The CIP rules for assigning R/S descriptors to tetrahedral chiral centers, and E/Z descriptors to double bonds are used during name generation.