[Rdkit-discuss] How to calculate Tanimoto similarity score between reactions
Open-Source Cheminformatics and Machine Learning
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From: <164...@qq...> - 2020-06-10 04:12:01
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Hi, I want to calculate Tanimoto similarity score of two reactions ('CCCO>>CCC=O', 'CC(O)C>>CC(=O)C'), I found all methods of Tanimoto similarity score calculation are for compounds. Could you please tell me how to calculate the Tanimoto similarity score of reactions? I am looking forward to your reply.
Yours,
shaozhen |