In case of P‐glycoprotein, SAR guided docking103 led to a docking protocol which allowed to perform structure‐based classification of a large set of P‐gp inhibitors and noninhibitors.104 Also for the BSEP, an ABC‐transporter linked to cholestasis, structure‐based classification was successfully implemented.105 Finally, we would like to mention the off‐target safety assessment (OTSA) framework, which combines a number of 2D target prediction methods with 3D protein‐based approaches. This evidence concerns the gene ABCB11 and cholestasis.