In this article, ‘Addressing toxicity risk when designing and selecting compounds in early drug discovery‘, we discuss the application of expert knowledge-based predictions of toxicity. We highlight how they can be used with multi-parameter optimisation, to guide the design and selection of high quality compounds with a reduced risk of toxicity, early in the drug discovery process.

Citation details

M. D. Segall, C. Barber, Drug Discovery Today, 2014, 19(5), pp. 688-693
DOI: 10.1016/j.drudis.2014.01.006 

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