Predicting blood:air partition coefficients using basic physicochemical properties

► Predictive models for blood:air partition coefficients (PBAs) were derived. ► Based on easily obtainable chemical properties: vapour pressure, Log (KOW) and MW. ► Best human model: Log (PBA) = 6.96 − 1.04 Log (VP) − 0.533 Log (KOW) − 0.00495 MW. ► Best rat model: Log (PBA) = 6.16 − 0.888 Log (VP) − 0.521 Log (KOW) − 0.00201 MW. ► Performance comparable to models based on more complex molecular parameters.