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Published 20 hours ago • verified publisher icon otori-bird

how to use this tool to break down a target compound?(Retrosynthesis)

Open ljh433 opened this issue 1 year ago • 1 comments

I have some target compounds(SMILES), but I have no idea how to use your tool to break it down into some reactants.Any help would be appreciated.

ljh433 avatar Oct 10 '23 09:10 ljh433

If you simply want to predict potential reactants based on our method, you can refer to the "Environment Preparation" section in the readme document to set up the environment and download the pre-trained model for prediction.

We may develop a more user-friendly website in the future to provide reactant prediction services.

otori-bird avatar Oct 17 '23 05:10 otori-bird

Since the questioner has not asked any further questions for a long time, I believe it is appropriate to close this issue.

otori-bird avatar Jul 01 '24 13:07 otori-bird