Can anyone recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to synthesize target molecules from a complex mixture?
Dear Talal Ashraf there are two potentially useful article on this topic available as public full texts right here on RG:
1. Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry
Preprint Predicting Feasible Organic Reaction Pathways Using Heuristi...
2. Neural networks for the prediction organic chemistry reactions
Article Neural networks for the prediction organic chemistry reactions
Dear Talal Ashraf there are two potentially useful article on this topic available as public full texts right here on RG:
1. Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry
Preprint Predicting Feasible Organic Reaction Pathways Using Heuristi...
2. Neural networks for the prediction organic chemistry reactions
Article Neural networks for the prediction organic chemistry reactions
To Predict the reaction pathway for electro organic synthesis , first identify the products & intermediate whether as radicals, radical cation or radical anion. Then propose the mechanism for the reaction.
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