What inspired this wish list request?
Currently, JMP does not support importing ChemDraw files such as .cdx or .cdxml, which are widely used in chemistry and life sciences for drawing chemical structures. This creates a gap in workflows where chemical structure data needs to be integrated with experimental or analytical data in JMP.
Example use case:
A chemist creates a series of chemical structures in ChemDraw and wants to analyze associated experimental data (e.g., melting point, solubility, biological activity) in JMP. However, there is no direct way to import the structure files into JMP, requiring manual conversion or external tools, which is inefficient and error-prone.
What is the improvement you would like to see?
We would like JMP to support direct import of ChemDraw file formats, particularly .cdx and .cdxml. Ideally, this would include:
- Drag-and-drop or file import of
.cdx files into JMP tables.
- Automatic rendering of chemical structures in a column.
- Optional parsing of structure metadata (e.g., molecular weight, formula) into separate columns.
This functionality is available in other cheminformatics tools like KNIME, DataWarrior, or Biovia Pipeline Pilot, and would greatly enhance JMP’s utility in chemical and pharmaceutical research.
Why is this idea important?
This feature would:
- Streamline workflows for chemists and researchers by eliminating the need for external conversion tools.
- Enable structure-based analysis directly in JMP (e.g., clustering, QSAR, PCA).
- Expand JMP’s user base in chemistry, pharmaceuticals, and materials science.
- Improve ease of use and data integrity by reducing manual steps and potential errors.
It would be a highly valuable addition for any JMP user working with chemical structure data.
