Predicting liver cytosol stability of small molecules

Predicting liver cytosol stability of small molecules

Abstract Over the last few decades, chemists have become skilled at designing compounds that avoid cytochrome P (CYP) 450 mediated metabolism. Typical screening assays are performed in liver microsomal fractions and it is possible to overlook the contribution of cytosolic enzymes until much later in...

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Bibliographic Details
Main Authors: Pranav Shah, Vishal B. Siramshetty, Alexey V. Zakharov, Noel T. Southall, Xin Xu, Dac-Trung Nguyen
Format: Article
Language:English
Published: BMC 2020-04-01
Series:Journal of Cheminformatics
Subjects:
Xenobiotic metabolism
Cytosol stability
Matched molecular pairs
Qualitative-structure activity relationship
Machine learning
Online Access:http://link.springer.com/article/10.1186/s13321-020-00426-7

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http://link.springer.com/article/10.1186/s13321-020-00426-7

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