CORINA Symphony - Managing and Profiling Molecular Datasets

CORINA SYMPHONY

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

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 calculation including the state-of-the-art chemotype profiling approach known from the ChemoTyper application.

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

Features & Functionality

  • Applicable to a broad range of chemical compound classes
  • Workflow-based and interactive processing of chemical data sets
    • CORINA Clean workflow for structure clean-up and standardization and 3D model 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 as well as a series of vectorial descriptors that capture structural and physicochemical effects of molecules
    • Houses the ToxPrint chemotypes library containing over 700 chemotypes for profiling, grouping and categorization of chemical compounds
  • 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., SDfile, SMILES) and table file formats (e.g., TSV, CSV) for import and export

User Interface

  • Convenient, intuitive and user-friendly graphical user interface
  • Optional batch mode execution
  • Interface for integration into internal IT environments and workflows

Screenshots

CORINA Symphony Data Manager

screenshot CORINA Symphony Data Manager

CORINA Symphony Workflow Detection of Duplicates

screenshot CORINA Symphony Workflow Detection of Duplicates

System Requirements

  • Microsoft Windows 7/8/10 (win32)

Additional Info

Downloadable PDFs

Slide Show

CORINA Symphony - Managing and Profiling Molecular Data Sets

Evaluation Version

A demo version of CORINA Symphony is available on request free of charge. Please
contact us preferentially by e-mail to request an evaluation version.