Carolin MüllerFAU LMQ Research Spotlight: From Empirical Rules to Digital Predictions of ππ* Absorption Maxima
What happens when the wisdom of mid-20th-century chemists meets today’s digital tools? In their recent work, Connor Forster and Carolin Müller revisited and digitized the classical empirical rules of Woodward, Fieser, and Kuhn to predict ππ* absorption maxima directly from molecular structure. By translating their additive principles into a modern cheminformatics workflow, they provide a […]What happens when the wisdom of mid-20th-century chemists meets today’s digital tools? In their recent work, Connor Forster and Carolin Müller revisited and digitized the classical empirical rules of Woodward, Fieser, and Kuhn to predict ππ* absorption maxima directly from molecular structure. By translating their additive principles into a modern cheminformatics workflow, they provide a […]
