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- W4319348580 endingPage "51" @default.
- W4319348580 startingPage "21" @default.
- W4319348580 abstract "Biotransformation of drug-like compounds in the human body may lead to the adverse or toxic effects caused by their metabolites. During early pharmaceutical drug R&D, experimental metabolite structure is often not yet available. To increase the safety profile of novel pharmaceutical agents, a computer-aided assessment of toxicity should be performed based on the structural formulae of both parent compounds and their metabolites. In this chapter, we survey current approaches to the drug metabolite prediction, with subsequent estimation of their action potentially leading to undesirable biological effects. Herein, we propose the concept of integral toxicity that concomitantly reflects the overall biological activity of a pharmaceutical substance and its metabolites. The current possibilities and limitations of the multifaceted computational assessment of xenobiotics toxicity are discussed." @default.
- W4319348580 created "2023-02-08" @default.
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- W4319348580 creator A5029121475 @default.
- W4319348580 creator A5036658657 @default.
- W4319348580 creator A5052390470 @default.
- W4319348580 date "2023-01-01" @default.
- W4319348580 modified "2023-09-27" @default.
- W4319348580 title "Assessment of the Xenobiotics Toxicity Taking into Account Their Metabolism" @default.
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