Log in
Register
Give us Feedback
InviteTag Results
Items tagged with "cml generation" (1)
Note: some items may not be visible to you, due to viewing permissions.
Workflows (1)
|
Original Uploader |
Created: 06/11/08 @ 16:59:02
Credits:
License: Creative Commons Attribution-Share Alike 3.0 Unported License
This workflow performs a topological substructure search. The molecules to be searched are loaded from a MDL SD file. The substructure is loaded from a SMILES (workflow input). The matched molecules are converted to CML and for the molecules which do not contain the substructure the InChI is generated.
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 94 times | Downloaded: 28 times Tags (6): |
 View
 Download (v1)
|
Copyright © 2007 - 2011 The University of Manchester and University of Southampton
