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DCGG: drug combination prediction using GNN and GAE

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    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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