In silico prediction of adverse drug reactions and toxicities based on structural, biological and clinical data

Xin Liu, Zhe Shi, Ying Xue, Ze Rong Li, Sheng Yong Yang, Yu Quan Wei, Yu Zong Chen

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


Drug adverse effects (ADEs) and toxicities have been extensively studied from chemical structure, genetic, biological systems and clinical perspectives. The rapid accumulation of chemical, biological and clinical data are highly useful for characterizing and predicting ADEs, and have enabled increasing exploration of computational methods as low cost tools for predicting various ADEs and toxicities. This article reviews the strategies, current progresses, underlying difficulties and future prospects in using computational methods for predicting ADEs and toxicities.

Original languageEnglish
Pages (from-to)225-237
Number of pages13
JournalCurrent Drug Safety
Issue number3
Publication statusPublished - 2012
Externally publishedYes


  • Adverse drug effects
  • Adverse drug reaction
  • Drug discovery
  • Drug testing
  • Pharmaceutical
  • Risk assessment
  • Side effect
  • Toxicity
  • Toxicology

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