ChemAxon's Chemical Terms is a language for adding advanced chemical intelligence to cheminformatics applications.
Chemical Terms provides chemistry and mathematical functions including:
functional group recognition
ring and distance based topological functions
other electronical, steric and structural functions.
The functions are integrated via an open plugin interface providing dynamic loading, easy extension and programmatic access.
The Chemical Terms expressions can be used in various ChemAxon applications including JChem Base CT, Chemical Terms - JChem Cartridge, Instant JChem CT, Chemical Terms - Reactor etc.; in custom applications via the API, or from command line using the Chemical Terms Evaluator tool.
Some brief examples of applying the Chemical Terms language are:
heteroAromaticRingCount() < 4 and rotatableBondCount() <= 10;
mass() <= 500 and logP() <= 5 and donorCount() <= 5 and acceptorCount() <= 10
dissimilarity("ChemicalFingerprint", actives) - dissimilarity("PharmacophoreFingerprint", actives) > 0.6
charge(ratom(1), "aromaticsystem") <= -0.2