From the start of a synthetic chemist's training, experiments are conducted based on recipes
from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist …

Models can codify our understanding of chemical reactivity and serve a useful purpose in
the development of new synthetic processes via, for example, evaluating hypothetical …

We report a versatile and functional-group-tolerant method for the Pd-catalyzed C–N cross-
coupling of five-membered heteroaryl halides with primary and secondary amines, an …

Pd-catalyzed C–N couplings are commonplace in academia and industry. Despite their
significance, finding suitable reaction conditions leading to a high yield, for instance …

The rapid preparation of complex three‐dimensional (3D) heterocyclic scaffolds is a key
challenge in modern medicinal chemistry. Despite the increased probability of clinical …

High-throughput experimentation (HTE) has the potential to improve our understanding of
organic chemistry by systematically interrogating reactivity across diverse chemical spaces …

Despite the increased use of computational tools to supplement medicinal chemists'
expertise and intuition in drug design, predicting synthetic yields in medicinal chemistry …

This paper explores the transformative impact of computational pharmaceutics, integrating
AI, multi-scale modeling, quantum computing, AI-driven drug discovery, and blockchain …

Chapter 1: Introduction to Pd-Catalyzed C–N Cross-Coupling: Rational Biarylphosphine
Ligand Design Enhances the Reactivity of Difficult Substrates Transition-metal-catalyzed C …