Lexichem TK 1.0¶
On a benchmark of 250251 compounds in the NCI00 database,
is able to convert 220922 structures (88.28%) to names without BLAH.
Of these 220922 names,
nam2mol is able to convert 177032 (80.13%)
back into structures.
In addition to a great many other improvements to the name parsing code, the Lexichem parser now contains an internal dictionary allowing the recognition of common non-systematic names, such as ‘ranitidine’ and ‘zantac’.
In addition to a great many improvements to the name generation code, the Lexichem naming functionality now allows the specification of a naming style, allowing the compound to be named in either a traditional, OpenEye, IUPAC, CAS or systematic naming style.