Lexichem TK 1.3

  • On a benchmark of 250251 compounds in the NCI00 database, mol2nam is able to convert 221205 structures (88.39%) to names without BLAH. Of these 221205 names, nam2mol is 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.