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CHAPTER 10

Integrating Metabolism and Toxicity Properties

Identifying a successful, efficacious and safe drug is a delicate balancing act in which many properties must be simultaneously optimised. Activity data must be integrated with absorption, distribution, metabolism and toxicity information to identify high quality compounds with a high chance of downstream success. This chapter explores methods for multi-parameter optimisation (MPO) that simultaneously assess compound data against multiple property criteria to guide selection and design of compounds. It discusses the strengths and weaknesses of different methods and illustrates the application of MPO with a practical case study. Finally, some areas of future development in this field are outlined.

Publication details


Print publication date
20 Nov 2015
Copyright year
2016
Print ISBN
978-1-84973-828-6
PDF eISBN
978-1-78262-237-6
ePub eISBN
978-1-78262-778-4
From the book series:
Drug Discovery