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Small Molecule Structure Elucidation

CMC-se is a NMR software package for simple and efficient structure elucidation of small molecules.

With its innovative approach, CMC-se accelerates the spectroscopist’s workflow during the elucidation process by automating many of the key analysis and interpretation steps. In combination with Bruker’s AVANCE™ NMR spectrometer product line, CMC-se is the only elucidation tool that integrates high quality NMR data acquisition with sophisticated software analysis. CMC-se further expands its capabilities to full data set structure verification. The use of long range correlations adds an extra layer of confidence, producing results with maximum reliability.

CMC-se Classroom

For educational purposes, CMC-se is also available as a Classroom edition. It includes all the functions of the full version, with the exception of automatic structure generation and assignment. In addition, extensive supporting materials and training data sets may be downloaded here.

The Classroom edition is available only for academia, since March 1st 2019 is the CMC-se Classroom license integral part of Topspin for academia.

Downloads

CMC-se is integral part of TopSpin installation, which may be downloaded here.

  • Simple and efficient structure elucidation of small molecules in drug discovery and natural products research
  • Automates many of the necessary analysis and interpretation steps
  • Seamless integration of NMR acquisition and sophisticated software analysis
  • Unique in class for its robustness, tolerates mistakes in the data by eliminating invalid correlations
  • Flexible interface allows the user to introduce any previous or acquired knowledge about the structure, dramatically decreasing the structure calculation time
  • Enables both accomplished researchers and beginners to expedite the elucidation of unknown substances in diverse pharmaceutical and chemical applications
  • Organizes the data for a molecule into a single project, and provides unique graphical tools for data visualization and interpretation
  • Results are  structures with chemical shift assignments and atoms correlations, in electronic format, ready to be reported or exported