Pharma Research Information Management Research

Announcements

Novartis Crop Protection Makes ME Molecular Editor Applet Publicly Available

Characteristics

• Lightweight. (40K)
• Javascript can ask for SMILES and put it into hidden form box.
• No stereochemistry.
• Inputting charges is difficult.
• No warranty, no liability.

You can use it provided you

• Do not reverse-engineer it
• Give credit to Peter Ertl and Novartis Crop Protection
• Put Novartis logo on page

Executable Versions of Novartis Depict Algoritm Will Be Contributed Soon

Planned components

• smi2mol (which also does mol2smi)
  • Converts tables of SMILES with and without keys to SDF files.
  • Algorithmically depicts molecules.
  • Does stereochemical hash and wedege selection.
• smitalk
  • Can be used in programs via program object toolkit
  • generates MOLfiles and depiction meta-commands
• SMILES depicter applet
  • 100% Java (not certified)
  • Relatively big (~250K)
  • Depicts SMILES locally
  • Javascript can send it a SMILES for depiction.
  • Not as complete as smi2mol or smitalk

Usage terms still unclear but should be free of charge.