DMSO Solubility Assessment for Fragment-Based Screening

DMSO Solubility Assessment for Fragment-Based Screening

In this paper, we report comprehensive experimental and chemoinformatics analyses of the solubility of small organic molecules (“fragments”) in dimethyl sulfoxide (DMSO) in the context of their ability to be tested in screening experiments. Here, DMSO solubility of 939 fragments has been measured ex...

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Bibliographic Details
Main Authors: Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, Olivier Saurel, Jean-Luc Galzi, Alexandre Varnek
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Molecules
Subjects:
DMSO solubility
QSPR
fragment-based screening
outlier detection
NMR
Online Access:https://www.mdpi.com/1420-3049/26/13/3950

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https://www.mdpi.com/1420-3049/26/13/3950

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