System Prediction of Drug-Drug Interactions Through the Integration of Drug Phenotypic, Therapeutic, Structural, and Genomic Similarities

  • Binglei Wang
  • Xingxing Yu
  • Ran Wei
  • Chenxing Yuan
  • Xiaoyu Li
  • Chun-Hou ZhengEmail author
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 9771)


Prediction of drug-drug interactions (DDIs) is an essential step in both drug development and clinical application. As the number of approved drugs increases, the number of potential DDIs rapidly rises. Several drugs have been withdrawn from the market due to DDI-related adverse drug reactions recently. Therefore, it is necessary to develop an accurate prediction tool that can identify potential DDIs during clinical trials. We propose a new methodology for DDIs prediction by integrating the drug-drug pair similarity, including drug phenotypic, therapeutic, structural, and genomic similarity. A large-scale study was conducted to predict 6946 known DDIs of 721 approved drugs. The area under the receiver operating characteristic curve of the integrated models is 0.953 as evaluated using five-fold cross-validation. Additionally, the integrated model is able to detect the biological effect produced by the DDI. Through the integration of drug phenotypic, therapeutic, structural, and genomic similarities, we demonstrated that the proposed method is simple, efficient, allows the uncovering DDIs in the drug development process and postmarketing surveillance.


Drug-drug interaction Structural similarity Therapeutic similarity Genotypic similarity Phenotypic similarity 


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Copyright information

© Springer International Publishing Switzerland 2016

Authors and Affiliations

  • Binglei Wang
    • 2
  • Xingxing Yu
    • 1
  • Ran Wei
    • 1
  • Chenxing Yuan
    • 3
  • Xiaoyu Li
    • 2
  • Chun-Hou Zheng
    • 2
    Email author
  1. 1.Institute of Health Sciences, School of Life SciencesAnhui UniversityHefeiChina
  2. 2.School of Computer Science and TechnologyAnhui UniversityHefeiChina
  3. 3.College of Electrical Engineering and AutomationAnhui UniversityHefeiChina

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