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Current and future perspectives on the development, evaluation and application of in silico approaches for predicting toxicity
Citation:
Patlewicz, G. AND J. Fitzpatrick. Current and future perspectives on the development, evaluation and application of in silico approaches for predicting toxicity. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 29:438-451, (2016).
Impact/Purpose:
Invited review article for CRT for a special issue.
Description:
Safety-related problems continue to be one of the major reasons of attrition in drug development. Non-testing approaches to predict toxicity could form part of the solution. This review provides a perspective of current status of non-testing approaches available for the prediction of different toxicity endpoints. A framework for the development, evaluation and assessment of (Q)SARs is presented together with several examples. A workflow for performing read-across predictions within category and analogue approaches is presented and the shortcomings discussed. In light of the advances in high throughput (HT) approaches and constructs such as adverse outcome pathways (AOPs) coming on-line to help in interpreting such HT data, the ways in which non-testing approaches are developed are also evolving. We discuss what the future of these approaches might look like and outline how their integration could be useful in screening toxicity for drug development.
