Computational Tools for the Prediction of Site- and Regioselectivity of Organic Reactions DOI Creative Commons
Lukas M. Sigmund,

Michele Assante,

Magnus J. Johansson

et al.

Chemical Science, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

This article reviews computational tools for the prediction of regio- and site-selectivity organic reactions. It spans from quantum chemical procedures to deep learning models showcases application presented tools.

Language: Английский

Evaluating Predictive Accuracy in Asymmetric Catalysis: A Machine Learning Perspective on Local Reaction Space DOI
Isaiah O. Betinol,

Aleksandra Demchenko,

Jolene P. Reid

et al.

ACS Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 6067 - 6077

Published: March 31, 2025

Language: Английский

Citations

0
Computational Tools for the Prediction of Site- and Regioselectivity of Organic Reactions DOI Creative Commons
Lukas M. Sigmund,

Michele Assante,

Magnus J. Johansson

et al.

Chemical Science, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

This article reviews computational tools for the prediction of regio- and site-selectivity organic reactions. It spans from quantum chemical procedures to deep learning models showcases application presented tools.

Language: Английский

Citations

0