Continuous flow synthesis of the antiviral drug tecovirimat and related sp3-rich scaffolds DOI Creative Commons
Arlene Bonner, Marcus Baumann

Organic & Biomolecular Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

Fast, high-yielding syntheses of a medicinally relevant sp 3 -rich polycyclic scaffold have been developed and its synthetic utility demonstrated in range condensation reactions.

Language: Английский

Machine learning-guided strategies for reaction conditions design and optimization DOI Creative Commons
Lung-Yi Chen, Yi‐Pei Li

Beilstein Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 20, P. 2476 - 2492

Published: Oct. 4, 2024

This review surveys the recent advances and challenges in predicting optimizing reaction conditions using machine learning techniques. The paper emphasizes importance of acquiring processing large diverse datasets chemical reactions, use both global local models to guide design synthetic processes. Global exploit information from comprehensive databases suggest general for new while fine-tune specific parameters a given family improve yield selectivity. also identifies current limitations opportunities this field, such as data quality availability, integration high-throughput experimentation. demonstrates how combination engineering, science, ML algorithms can enhance efficiency effectiveness design, enable novel discoveries chemistry.

Language: Английский

Citations

7
Design and Optimization of a shared synthetic route for multiple active pharmaceutical ingredients through combined Computer Aided Retrosynthesis and flow chemistry DOI Creative Commons

Rodolfo I. Teixeira,

Brahim Benyahia

Process Safety and Environmental Protection, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

Citations

0
Combination of near-infrared spectroscopy and a transient flow method for efficient kinetic analysis of the Claisen rearrangement DOI
Yoshihiro Takebayashi, Kiwamu Sue, Sho Kataoka

et al.

Reaction Chemistry & Engineering, Journal Year: 2024, Volume and Issue: 9(11), P. 2975 - 2983

Published: Jan. 1, 2024

An automated flow reactor with a rapid inline monitoring using compact near-infrared spectrometer and rate ramp control enabled high-density kinetic data acquisition.

Language: Английский

Citations

0
Continuous flow synthesis of the antiviral drug tecovirimat and related sp3-rich scaffolds DOI Creative Commons
Arlene Bonner, Marcus Baumann

Organic & Biomolecular Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

Fast, high-yielding syntheses of a medicinally relevant sp 3 -rich polycyclic scaffold have been developed and its synthetic utility demonstrated in range condensation reactions.

Language: Английский

Citations

0