CORINA Symphony

CORINA Symphony is a cheminformatics application to manage, manipulate and profile molecular data sets for in silico discovery and optimization experiments.

Features & Functionality

  • Applicable to a broad range of chemical compound classes
  • Workflow-based and interactive processing of chemical data sets
    • CORINA Clean/3D workflow for structure clean-up and standardization and 3D generation
    • CORINA Descriptors workflow for calculation of descriptors, properties and chemotypes profiles
  • Fast and reliable conversion of molecules into uniform descriptors encoding structural and physicochemical features and fingerprints
    • Provides global molecular, shape and size-related descriptors, surface-based properties and EMPIRE quantum-mechanical parameters (optional) [1]
    • Houses the ToxPrint chemotypes library containing over 700 chemotypes for profiling, grouping and categorizing chemical compounds [2],[3]
  • Database backend to efficiently store and manage chemical and associated data
  • Table view for data set inspection and manipulation with editable table cells and copy&paste functionality into external spreadsheet applications
  • Support of standard chemical (e.g., SD or SMILES) and table file formats (e.g., TSV or CSV) for import and export

Product Overview

CORINA Symphony combines the unique features of CORINA Classic for structure standardization, clean-up and 3D model generation with powerful and fast methods for structure representation and descriptor and property calculation including the effective chemotype profiling approach known from the ChemoTyper application [2],[3].

Furthermore, CORINA Symphony provides means to store, manage and manipulate chemical data sets along with chemical, biological or physicochemical properties in a robust and efficient database backend.

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