Cheminformatics

An Industry-leading chemistry engine that handles structure representations and registrations with outstanding speed and accuracy in manipulating chemical structures

Symyx Cheminformatics provides the underlying chemistry engine and chemical drawing/presentation tools used to register, render, and query structures and reactions. The reliable Symyx chemistry engine has been proven on product databases containing over 17 million reactions and 27 million molecules.

Symyx Cheminformatics provides:

  • Flexibility
  • Chemical intelligence
  • Easy-to-use tools for:
    • Drawing and displaying chemical structures and reactions
    • Storing and searching molecules and reactions
    • Controlling how chemical structures are normalized and validated prior to registration
    • Physicochemical property calculations

The Symyx industry-leading chemistry engine supports:

  • DiscoveryGate
  • ISIS
  • Symyx Assay Explorer
  • Symyx Isentris
  • Symyx Logistics
  • Symyx Notebook
  • Symyx Plate Manager
  • Symyx Registration
  • Symyx Report Manager
 

Work with unparalleled chemistry support

Symyx chemistry supports integration with best-of-breed industry solutions including: KNIME pipelining software, Pipeline Pilot software from Accelrys, data visualization software from TIBCO Spotfire, ACD/Labs products, Crossfire Beilstein, InforSense, and OpenEye tools.

Software included with Cheminformatics

 

Symyx Draw: Quickly draw precise chemical structures and reactions for presentations and queries.

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Chemical intelligence facilitates the accurate registration and searching of structures and reactions, and the production of publication–quality graphics.

Symyx Direct: Store and search structures and reactions.

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The Symyx preeminent chemistry data cartridge offers full reaction transformation searching, enhanced representation of tetrahedral, geometric stereogenic centers, and support for polymers, mixtures, and complex formulations.

Symyx Cheshire: Standardize chemical structures.

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Custom cheminformatics business rules enable R&D organizations to standardize chemical registration, structure queries, displays, and calculations in accordance with organizational needs.

 
 

 
 
 
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