A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis

JW Firman, CB Pestana, JF Rathman… - Chemical Research …, 2020 - ACS Publications
Owing to the primary role which it holds within metabolism of xenobiotics, the liver stands at
heightened risk of exposure to, and injury from, potentially hazardous substances. A …

[图书][B] Assessing and developing methods to explore the role of molecular shape in computer-aided drug design

JM Zarnecka - 2018 - search.proquest.com
Shape-based approaches have many potential areas for development in the future for
application to in silico pharmacology. Further exploration of the role of molecular shape may …