Comparing Mechanistic and Preclinical Predictions of Volume of Distribution on a Large Set of Drugs.

These results illustrate the great potential of mechanistic in silico models to accurately predict Vdss in humans. This in silico method does not rely on in vivo data and is, consequently, significantly time and resource sparing. The success of this in silico model further suggests that reasonable predictability of Vdss in preclinical species could be obtained by a similar process.