JChem for Excel
Overview
JChem for Excel integrates the structure handling capabilities of JChem and Marvin within a Microsoft Excel® environment. Structures are fully supported within spread sheets and be can viewed, edited, searched, resized, ordered and managed. Users can import/export using the wide file format support within JChem.
More advanced functionality includes; structure based calculations and R-group decomposition and development continues to integrate other JChem products into JChem for Excel.
Chemically aware- See, resize and print structure images
- Live structures in cells (add, edit on double click)
- Populate cells with structure based predictions
- Perform R-group decomposition
- Built in Excel functions interact with structure based prediction results
- Structures can be copied and pasted to other worksheets and cells
- Structure edits and deletions can be undone
- Rows can be sorted and filtered, structures move with cells
- Includes the enterprise chemistry search engine used in JChem Base and Cartridge
- Various search algorithms for structures and reactions (exact, substructure, superstructure, similarity etc )
- Extensive query feature support includes all major MDL (Symyx) and SMARTS query features
- Most chemical files types supported (SDF, RDF, SMILES, SMARTS, MRV, CML, XYZ, IUPAC Names etc)
- Wizards for file import/export and database import
JChem for Excel – add on’s
Calculator Plugins
Cells and columns can be populated with structure based calculation results for a range of properties, such as logP, pKa, chemical name, Hydrogen bond donor/acceptor, charge, topological descriptors and many more. Calculations can be combined and results manipulated with Excel’s functions.
