Calculator Plugins

presentation · 11 years ago
(ChemAxon)
Calculator Plugins (logP logD pKa etc...)

Calculator Plugins are modules of ChemAxon’s Marvin and JChem cheminformatics platforms which calculate chemical properties descriptors from chemical structures.

Key features:

  • Calculations can be performed using the graphical user interface of MarvinSketch and MarvinView
  • Predictions can be run in batch mode with cxcalc command line tool
  • Plugin calculations can be used for filtering results of database searches
    • in JChem Base
    • in Instant JChem
    • in JChem Cartridge
  • Define smart reaction rules using plugin calculations in Reactor (ChemAxon’s virtual reaction processing tool)
  • Java API for developers