Developmental toxicity: artificial intelligence-powered assessments.

Journal: Trends in pharmacological sciences
Published Date:

Abstract

Regulatory agencies require comprehensive toxicity testing for prenatal drug exposure, including new drugs in development, to reduce concerns about developmental toxicity, that is, drug-induced toxicity and adverse effects in pregnant women and fetuses. However, defining developmental toxicity endpoints and optimal analysis of associated public big data remain challenging. Recently, artificial intelligence (AI) approaches have had a critical role in analyzing complex, high-dimensional data, uncovering subtle relationships between chemical exposures and associated developmental risks. Here, we present an overview of major big data resources and data-driven models that focus on predicting various toxicity endpoints. We also highlight emerging, interpretable AI models that integrate multimodal data and domain knowledge to reveal toxic mechanisms underlying complex endpoints, and outline a potential framework that leverages multiple interpretable models to comprehensively evaluate chemical-induced developmental toxicity.

Authors

  • Tong Wang
    School of Public Health, Shanxi Medical University, Taiyuan 030000, China; Key Laboratory of Coal Environmental Pathogenicity and Prevention (Shanxi Medical University), Ministry of Education, Taiyuan 030000, China.
  • Xuelian Jia
    Department of Chemistry and Biochemistry, Rowan University, Glassboro, New Jersey 08028, United States.
  • Lauren M Aleksunes
    Department of Pharmacology and Toxicology, Ernest Mario School of Pharmacy, Rutgers University, Piscataway, NJ, USA.
  • Hui Shen
    College of Mechatronics and Automation, National University of Defense Technology, Changsha, China.
  • Hong-Wen Deng
    Center for Bioinformatics and Genomics, Department of Global Biostatistics and Data Science, Tulane University, New Orleans, LA 70112, USA.
  • Hao Zhu
    State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology Wuhan 430070 PR China chang@whut.edu.cn suntl@whut.edu.cn.