biorxiv.org

Cell-Level Virtual Screening (opens in new tab)

Virtual screening methods prioritize therapeutic candidates by predicting molecular properties and interactions. However, molecular models are insufficient to predict higher-order effects that arise in real biological systems, leading to late-stage failures in drug discovery. Virtual cells have been posed as a solution to this problem by predicting gene expression responses to drugs, but they remain weakly validated as screening tools; gene expression is only an intermediate in understanding ...

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