Concepedia

Automated LC-MS analysis and data extraction for high-throughput chemistry

J. S. Mason, Harry Wilders, David J. Fallon, Ross P. Thomas, Jacob T. Bush, Nicholas C. O. Tomkinson, Francesco Rianjongdee

Digital Discovery · 2023 · 23 citations · 36 references

DOIFull text

Open access

Concepts

Abstract

We demonstrate that PyParse, an open-access tool, improves upon existing methods for analysis of LC-MS data obtained for high-throughput experimentation.

References

36

Nanomole-scale high-throughput chemistry for the synthesis of complex molecules

A. Buitrago Santanilla, Erik L. Regalado, Tony Pereira et al. · Science · 2014 · 649 citations

, , +13

The Evolution of High-Throughput Experimentation in Pharmaceutical Development and Perspectives on the Future

Steven M. Mennen, Carolina Alhambra, C. Liana Allen et al. · Organic Process Research & Development · 2019 · 570 citations · Full text

, , +15

Practical High-Throughput Experimentation for Chemists

Michael Shevlin · ACS Medicinal Chemistry Letters · 2017 · 389 citations · Full text

, , +9

The Evolution of Chemical High-Throughput Experimentation To Address Challenging Problems in Pharmaceutical Synthesis

Shane W. Krska, Daniel A. DiRocco, Spencer D. Dreher et al. · Accounts of Chemical Research · 2017 · 355 citations

, , +16

The Open Reaction Database

Steven Kearnes, Michael Maser, Michael Wleklinski et al. · Journal of the American Chemical Society · 2021 · 344 citations · Full text

, , +15