Lexichem is a chemical nomenclature toolkit created by OpenEye Scientific Software that provides a fast and reliable way of converting chemical names to chemical structures and back in over 10 different languages. This presentation aims to give an overview of the new developments introduced in Lexichem toolkit version 2.1.0.A new performance metric based on percentage round tripping of canonical isomeric smiles is introduced.  The advantages of this metric, and why it will be used as a benchmark in future software releases will be discussed.Using this new metric, we report significant increases (up to 39%) in performance from our previous release of Lexichem (v2.0.2) over four databases.

Lexichem TK 2.1.0

243rd National Meeting (2012)

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