[Rdkit-discuss] decomposing products to reactants from an rxn
Open-Source Cheminformatics and Machine Learning
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From: Peter S. <pet...@di...> - 2019-11-26 23:02:35
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Hi, I wanted to know whether there was an easy way in rdkit to decompose a product to its reactants using an rdkit smarts-based reaction? Basically I’m looking for the runReactants function but the other way around. Is there any chance this would work with a reverted reaction or is this just wishful thinking? Thanks in advance for your reply. Peter Schmidtke |