The C–H functionalization of silyl ethers via carbene-induced C–H insertion represents an
efficient synthetic disconnection strategy. In this work, site-and stereoselective C (sp3)–H …

The automated construction of datasets has become increasingly relevant in computational
chemistry. While transition-metal catalysis has greatly benefitted from bottom-up or top-down …

This dissertation explores the use of data-driven workflows to generate datasets with diverse
outputs and the statistical analysis of these datasets for predictive and mechanistic …