Chem. Sci., 2023, 14,10835-10846
DOI: 10.1039/D3SC03902A, Edge Article
DOI: 10.1039/D3SC03902A, Edge Article
Open Access
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhen Liu, Yurii S. Moroz, Olexandr Isayev
A sensitive model captures the reactivity cliffs but overfit to yield outliers. On the other hand, a robust model disregards the yield outliers but underfits the reactivity cliffs.
The content of this RSS Feed (c) The Royal Society of Chemistry
A sensitive model captures the reactivity cliffs but overfit to yield outliers. On the other hand, a robust model disregards the yield outliers but underfits the reactivity cliffs.
The content of this RSS Feed (c) The Royal Society of Chemistry