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Xiang-Wei Zhu, Alexander Sedykh and Shu-Shen Liu Hybrid in silico models for drug-induced liver injury using chemical descriptors and in vitro cell-imaging information Journal of Applied Toxicology 34

Article first published online: 3 MAY 2013 | DOI: 10.1002/jat.2879

It is truly important to develop computational models to screen out hepatotoxic compounds in drug development. We have developed rigorously validated hybrid models using chemical descriptors and in vitro cell-imaging information which can be used in virtual screening of lead compounds with potential hepatotoxicity. Our results showed chemical structure and in vitro biological data can be complementary in enhancing the prediction accuracy of human hepatotoxicity and can afford rational mechanistic interpretation.

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