A brief introduction to chemical reaction optimization

CJ Taylor, A Pomberger, KC Felton, R Grainger… - Chemical …, 2023 - ACS Publications
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 …

Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

The hitchhiker's guide to flow chemistry∥

MB Plutschack, B Pieber, K Gilmore… - Chemical …, 2017 - ACS Publications
Flow chemistry involves the use of channels or tubing to conduct a reaction in a continuous
stream rather than in a flask. Flow equipment provides chemists with unique control over …

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

Y Xie, K Sattari, C Zhang, J Lin - Progress in Materials Science, 2023 - Elsevier
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …

Optimizing chemical reactions with deep reinforcement learning

Z Zhou, X Li, RN Zare - ACS central science, 2017 - ACS Publications
Deep reinforcement learning was employed to optimize chemical reactions. Our model
iteratively records the results of a chemical reaction and chooses new experimental …

[HTML][HTML] Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives

AM Schweidtmann, AD Clayton, N Holmes… - Chemical Engineering …, 2018 - Elsevier
Automated development of chemical processes requires access to sophisticated algorithms
for multi-objective optimization, since single-objective optimization fails to identify the trade …

Continuous flow chemistry: where are we now? Recent applications, challenges and limitations

FM Akwi, P Watts - Chemical communications, 2018 - pubs.rsc.org
A general outlook of the changing face of chemical synthesis is provided in this article
through recent applications of continuous flow processing in both industry and academia …

[HTML][HTML] Automated self-optimisation of multi-step reaction and separation processes using machine learning

AD Clayton, AM Schweidtmann, G Clemens… - Chemical Engineering …, 2020 - Elsevier
There has been an increasing interest in the use of automated self-optimising continuous
flow platforms for the development and manufacture in synthesis in recent years. Such …

The medicinal chemistry in the era of machines and automation: recent advances in continuous flow technology

A Gioiello, A Piccinno, AM Lozza… - Journal of medicinal …, 2020 - ACS Publications
Medicinal chemistry plays a fundamental and underlying role in chemical biology,
pharmacology, and medicine to discover safe and efficacious drugs. Small molecule …

Algorithms for the self-optimisation of chemical reactions

AD Clayton, JA Manson, CJ Taylor… - Reaction Chemistry & …, 2019 - pubs.rsc.org
Self-optimising chemical systems have experienced a growing momentum in recent years,
with the evolution of self-optimising platforms leading to their application for reaction …