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机器学习模型在预测肝毒性方面的应用。

Machine Learning Models for Predicting Liver Toxicity.

机构信息

National Center for Toxicological Research, U.S. Food and Drug Administration, Jefferson, AR, USA.

出版信息

Methods Mol Biol. 2022;2425:393-415. doi: 10.1007/978-1-0716-1960-5_15.

Abstract

Liver toxicity is a major adverse drug reaction that accounts for drug failure in clinical trials and withdrawal from the market. Therefore, predicting potential liver toxicity at an early stage in drug discovery is crucial to reduce costs and the potential for drug failure. However, current in vivo animal toxicity testing is very expensive and time consuming. As an alternative approach, various machine learning models have been developed to predict potential liver toxicity in humans. This chapter reviews current advances in the development and application of machine learning models for prediction of potential liver toxicity in humans and discusses possible improvements to liver toxicity prediction.

摘要

肝毒性是一种主要的药物不良反应,它导致了临床试验中的药物失败和药物从市场上撤出。因此,在药物发现的早期阶段预测潜在的肝毒性对于降低成本和减少药物失败的可能性至关重要。然而,目前的体内动物毒性测试非常昂贵且耗时。作为一种替代方法,已经开发了各种机器学习模型来预测人类潜在的肝毒性。本章回顾了目前在开发和应用机器学习模型预测人类潜在肝毒性方面的进展,并讨论了肝毒性预测可能的改进。

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