Artificial intelligence in reaction prediction and chemical synthesis
V Venkatasubramanian, V Mann - Current Opinion in Chemical Engineering, 2022 - Elsevier
Recent years have seen a sudden spurt in the use of artificial intelligence (AI) methods for
computational reaction modeling and prediction. Given the diversity of the techniques, we …
computational reaction modeling and prediction. Given the diversity of the techniques, we …
Retrosynthesis prediction using grammar-based neural machine translation: An information-theoretic approach
V Mann, V Venkatasubramanian - Computers & Chemical Engineering, 2021 - Elsevier
Retrosynthetic prediction is one of the main challenges in chemical synthesis because it
requires a search over the space of plausible chemical reactions that often results in …
requires a search over the space of plausible chemical reactions that often results in …