JChem for Excel logoJChem for Excel


Reactor

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
Excel integration
  • 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
Enterprise search
  • 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
Import, export and share
  • 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.

FAQ



What is JChem for Excel?
What is JChem for Excel good for?

Related forum threads