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Alexandre Alain Schöpfer

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Publications associées (4)

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Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity

Jérôme Waser, Anne-Clémence Corminboeuf, Matthew Wodrich, Rubén Laplaza Solanas, Alexandre Alain Schöpfer

Chiral ligands are important components in asymmetric homogeneous catalysis, but their synthesis and screening can be both time-consuming and resource-intensive. Data-driven approaches, in contrast to screening procedures based on intuition, have the poten ...

Amer Chemical Soc2024

Genetic Algorithms for the Discovery of Homogeneous Catalysts

Anne-Clémence Corminboeuf, Rubén Laplaza Solanas, Simone Gallarati, Puck Elisabeth van Gerwen, Alexandre Alain Schöpfer

In this account, we discuss the use of genetic algorithms in the inverse design process of homogeneous catalysts for chemical transformations. We describe the main components of evolutionary experiments, specifically the nature of the fitness function to o ...

2023

Cost-informed Bayesian reaction optimization †

Jérôme Waser, Anne-Clémence Corminboeuf, Rubén Laplaza Solanas, Alexandre Alain Schöpfer, Jan Weinreich

Bayesian optimization (BO) is an efficient method for solving complex optimization problems, including those in chemical research, where it is gaining significant popularity. Although effective in guiding experimental design, BO does not account for experi ...

Royal Society of Chemistry (RSC)2024

Photocatalyzed Azidofunctionalization of Alkenes via Radical-Polar Crossover

Jérôme Waser, Pierre Gérard Joseph Palamini, Alexandre Alain Schöpfer

The azidofunctionalization of alkenes under mild conditions using commercially available starting materials and easily accessible reagents is reported based on a radical-polar crossover strategy. A broad range of alkenes, including vinyl arenes, enamides, ...

Wiley2025