Introduction

    Chemical Terms is a language developed by Chemaxon for evaluating chemical and mathematical expressions. The integration of services into the Chemical Terms language is straightforward as services accessible in MarvinSketch will also be available in Chemical Terms as well without any further steps needed. The name or the alias of the service can be used as a Chemical Terms function.

    The following example shows the evaluation of the Hellomolecule and the MMS services as Chemical Terms functions.

    MMS service as chemical terms function

    Built-in and service (external) calculations can be used at the same time. In the following example we use the built-in atomCount calculation and the CountAtomsPHP service calculation:

    Built-in atomCount calculation

    The Chemical Terms evaluator function can also be used for filtering. In the following example we filter out molecules that have less than 2 microspecies from a library:

    Filtering out molecules