Date Posted:
Product: ChemDraw
Product: ChemDraw
Problem:
How do I create a text file of SMILES strings from my structures or an SD File?
Solution:
ChemFinder can export structures as SMILES strings. If you have an SD File, import it into ChemFinder. If you have a bunch of structures, you can either bring them into ChemFinder one at a time or if you have ChemFinder for Office you can use that to do a search on the folder containing your structures for MW >0 and then use the Send To menu to send the hits to ChemFinder.
Once in ChemFinder, open the Preferences in the File menu, and click on the General tab. Check the Export SMILES option. Click OK. Now go to the File menu and choose Export Delimited Text to create a text file containing the SMILES strings.
Comments
0 comments
Article is closed for comments.