Description
The FDA is seeking a chemical drawing tool for over 1100 users, including chemists and informatics staff. The tool should be able to draw chemical structure diagrams, calculate NMR spectra, and generate IUPAC names and line notations for chemical structures and schemes. The contractor shall provide a brand name or equal ChemDoodle Advanced Software Suite, including maintenance and technical support. The contract will be for a period of 12 months. Key features of the tool include:
* Drawing capabilities: allow users to draw chemical structures using an interactive UI widget
* Export capabilities: save chemical structures as molfiles, SMILES strings, InChI and InchiKey, SD files, cdx files, and high-quality images
* Bulk viewing capabilities: allow users to open SD files as chemical spreadsheets and render chemical structures and properties for browsing, searching, and exporting
* Import capabilities: open chemical structures from molfiles, SMILES strings, InChI and InchiKey, SD files, cdx files, and images
* IUPAC naming capabilities: convert chemical IUPAC names to chemical structures and name molecules using IUPAC rules
* Calculations and references capabilities: calculate data for chemical structures, including molecular weight, formula, and number of stereocenters, and provide scientific data about chemical structures, including literature, physical properties, and metabolites