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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.
For more information on how StarDrop can support you in minimising toxicity risk, take a look at our Derek Nexus StarDrop module or try out a tutorial walkthrough for yourself.
In this example we will illustrate how knowledge-based predictions of toxicity can be used within a MPO environment to guide the selection and design of compounds with a good balance of properties and reduced risk of toxicity.