Abstract: Drug distribution in blood, defined as drug blood-to-plasma concentration ratio (R-b), is a fundamental pharmacokinetic parameter. it relates the plasma clearance to the blood clearance, enabling the physiological interpretation of this parameter. Although easily experimentally deter-mined, Rb values are lacking for the vast majority of drugs. We present a systematic approach using mechanistic, partial least squares (PLS) regression and artificial neural network (ANN) models to relate various in vitro and in silico molecular descriptors to a da...
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Topics: 
Pharmacology
Statistics
Biological system