I've attached a script that I've found very useful - the main purpose is to take a set of chemical diagrams (in mol format) and run a similarity search as available in WebCSD.

The script takes an .sdf file as the input, and this means it can also be used to search any other attributes present in the .sdf file. In this case if I can't find an example of a similar molecule in the CSD from the chemical diagram I'm running a second check on the compound name.

I'd be really interested if anyone has any comments or feedback - I hope somebody finds it useful!

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