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Updated: Sep 28, 2025

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
Published on: June 4, 2021
NMR spectroscopy in drug discovery and development: Evaluation of physico-chemical properties
Mire Zloh1,2
1UCL School of Pharmacy, University College London, 29/39 Brunswick Square, London, WC1N 1AX, UK.
Abstract:
Determination of physico-chemical properties of compounds is one of the corner-stones in selection of hit molecules for further progression into lead development in the modern drug discovery process. The speed of traditional analyses and limited quantities of hit molecules are obstacles for efficient acquisition of experimental data. Herein, the range of applications of quantitative nuclear magnetic resonance (NMR) spectroscopy as a fast technique used to evaluate solubility, log P and pKa are discussed.
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