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  1. No Access

    Article

    DCGG: drug combination prediction using GNN and GAE

    Recent findings show that drug combination therapy can increase efficacy, decrease drug resistance, and reduce drug side effects. Due to the enormous number of possibilities in the selection of drugs, it is cl...

    S. Sina Ziaee, Hossein Rahmani, Mina Tabatabaei… in Progress in Artificial Intelligence (2024)

  2. Article

    Open Access

    Target and Tissue Selectivity Prediction by Integrated Mechanistic Pharmacokinetic-Target Binding and Quantitative Structure Activity Modeling

    Selectivity is an important attribute of effective and safe drugs, and prediction of in vivo target and tissue selectivity would likely improve drug development success rates. However, a lack of understanding of ...

    Anna H. C. Vlot, Wilhelmus E. A. de Witte, Meindert Danhof… in The AAPS Journal (2017)

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