A brief introduction to chemical reaction optimization
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 …
from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist …
Graph neural networks for materials science and chemistry
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …
and materials science, being used to predict materials properties, accelerate simulations …
ChemCrow: Augmenting large-language models with chemistry tools
Over the last decades, excellent computational chemistry tools have been developed.
Integrating them into a single platform with enhanced accessibility could help reaching their …
Integrating them into a single platform with enhanced accessibility could help reaching their …
Self-driving laboratories for chemistry and materials science
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …
Through the automation of experimental workflows, along with autonomous experimental …
A field guide to flow chemistry for synthetic organic chemists
Flow chemistry has unlocked a world of possibilities for the synthetic community, but the idea
that it is a mysterious “black box” needs to go. In this review, we show that several of the …
that it is a mysterious “black box” needs to go. In this review, we show that several of the …
Depolymerization of plastics by means of electrified spatiotemporal heating
Depolymerization is a promising strategy for recycling waste plastic into constituent
monomers for subsequent repolymerization. However, many commodity plastics cannot be …
monomers for subsequent repolymerization. However, many commodity plastics cannot be …
Knowledge-integrated machine learning for materials: lessons from gameplaying and robotics
As materials researchers increasingly embrace machine-learning (ML) methods, it is natural
to wonder what lessons can be learned from other fields undergoing similar developments …
to wonder what lessons can be learned from other fields undergoing similar developments …
Augmenting large language models with chemistry tools
Large language models (LLMs) have shown strong performance in tasks across domains
but struggle with chemistry-related problems. These models also lack access to external …
but struggle with chemistry-related problems. These models also lack access to external …
Late-stage functionalization for improving drug-like molecular properties
The development of late-stage functionalization (LSF) methodologies, particularly C–H
functionalization, has revolutionized the field of organic synthesis. Over the past decade …
functionalization, has revolutionized the field of organic synthesis. Over the past decade …
Late-stage C–H functionalization offers new opportunities in drug discovery
Over the past decade, the landscape of molecular synthesis has gained major impetus by
the introduction of late-stage functionalization (LSF) methodologies. C–H functionalization …
the introduction of late-stage functionalization (LSF) methodologies. C–H functionalization …