Total results: 118
Usage. The command line tool evaluate evaluates a single expression and prints the result in human readable text format or else outputs the input molecule with ...
Evaluator. The Evaluator class provides an interface to the Chemical Terms library. It requires the creation of a ChemJEP object. ChemJEP is the actual ...
Evaluate Chemical Terms expression * * For API example see * https://chemaxon.com/jchem/doc/dev/java/api/chemaxon/jep/Evaluator.html * * Usage: * 1.
The examples are divided into three groups: Structure-based calculations (plugin calculations), Functions, Matching conditions.
This condition tests whether the molecule contains a phosphorus with an attached hydrogen, or the maximum acidic pK a taken on an OH or SH is greater than 14.5, ...
... Evaluator evaluator = new Evaluator() chemJEP = evaluator.compile("pKa('acidic','1')", MolContext.class) MolContext context = new MolContext() context ...
an expression string evaluated by the command line version of Evaluator ... evaluators and min-max evaluators). a reaction condition can refer to a reactant ...
xml configuration file. Create your own instance of the evaluator.xml file in the MarvinBeans/config directory (see the Evaluator manual for alternative ...
evaluator functions : functions containing an inner expression string as parameter - evaluate this expression for each atom in an atom context, examples ...
Chemical Terms Evaluator · Compound Registration · Instant JChem CT · JChem Base CT · Chemical Terms - JChem Cartridge · Chemical Terms - JChem for Excel.