Lexichem TK 2.0.2ΒΆ

  • Updated ring numbering templates that catch a significant fraction of ring naming failures in the NCBI’s PubChem database.
  • Updated the rules we use for naming the prefix “2-carboxyethyl” and friends, which we’d previously name “3-hydroxy-3-oxopropyl” (or similar).
  • Added parsing support for the traditional prefix “phenethoxy”.
  • Removed the insertion of a single explicit space after a semi-colon. We now prefer to preserve the original input string, rather than beautify it. This also plays nicer with HTML style input, where “λ” really doesn’t need an explicit space character after it.
  • Added several minor tweaks to AutoNom-style naming, such as “isophthalic acid” and “benzene-1,2-carbaldehyde”.
  • Updated some erroneous SMILES in the dictionary including sulfamethoxazole and tinidazole.