The role of PAT in the development of telescoped continuous flow processes

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

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The role of PAT in the development of telescoped continuous flow processes

Abstract: This review highlights the advantages of incorporating Process Analytical Technologies into continuous flow processes, especially in the context of telescoped multistep flow sequences. Use of FlowIR, in-line UV-Vis, online HPLC,...

Cited by 3 publications

References 81 publications

Continuous flow synthesis of the antiviral drug tecovirimat and related sp³-rich scaffolds

Continuous flow synthesis of the antiviral drug tecovirimat and related sp³-rich scaffolds

Combination of near-infrared spectroscopy and a transient flow method for efficient kinetic analysis of the Claisen rearrangement

Machine learning-guided strategies for reaction conditions design and optimization

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The role of PAT in the development of telescoped continuous flow processes

Abstract: This review highlights the advantages of incorporating Process Analytical Technologies into continuous flow processes, especially in the context of telescoped multistep flow sequences. Use of FlowIR, in-line UV-Vis, online HPLC,...

Cited by 3 publications

References 81 publications

Continuous flow synthesis of the antiviral drug tecovirimat and related sp3-rich scaffolds

Continuous flow synthesis of the antiviral drug tecovirimat and related sp3-rich scaffolds

Combination of near-infrared spectroscopy and a transient flow method for efficient kinetic analysis of the Claisen rearrangement

Machine learning-guided strategies for reaction conditions design and optimization

Contact Info

Product

Resources

About

Continuous flow synthesis of the antiviral drug tecovirimat and related sp³-rich scaffolds

Continuous flow synthesis of the antiviral drug tecovirimat and related sp³-rich scaffolds