Showing posts from November, 2020

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 .