Synthesis and Retrosynthesis of Molecule(s) for Drug Development using IBM RXN


Synthesis is a step-by-step process of constructing complex molecules using a set of molecules and specific reagents. While retrosynthesis (retro- backwards) is the process of deconstructing a molecule into readily available simple molecules. IBM RXN is the first, FREE artificial intelligence (AI) web service for predicting reactions and retrosynthesis molecules. Moreover, the AI model is independent of atom-mapping and give back a confidence level of the prediction. In this tutorial, I have explained synthesis and retrosynthesis of a molecule using IBM RXN. List of resources used in this video tutorial are IBM RXN, and NCBI PubChem.


  1. Thanks for taking the time to discuss this, I feel strongly about it and love learning more on this topic. If possible, as you gain expertise, would you mind updating your blog with extra information? It is extremely helpful for me.


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