Front Cover: When Virtual Screening Yields Inactive Drugs: Dealing with False Theoretical Friends (ChemMedChem 16/2022)
José P. Cerón‐Carrasco · ChemMedChem · 2022
The Front Cover illustrates how computational models open the door to the search for novel drugs, including antivirals, in vast chemical spaces with billions of compounds. However, the use (and overuse) of such virtual screening methods is based on several theoretical limitations that prevent a direct extrapolation to clinical scenarios. This is especially true when used blindly. So get ready and put your space helmet on—it is time to leave the capsule of molecular models to confirm predictions in wet-labs. More information can be found in the Research Article by José P. Cerón-Carrasco.