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Knowledge-Based Approaches to Off-Target Screening.

Selective binding of a drug for its target vs other proteins is an important consideration in designing compounds with minimal risk of toxicity and therefore a key aspect of lead optimization. Screening all compounds against all known off-target proteins would be prohibitively expensive, so project teams must decide which compounds to screen in which assays. This chapter describes informatics-based methods that help prioritize testing, including screening minipanels and prioritization using predictive models (e-counterscreening).

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