title: A new nonlinear equation for the tissue/blood partition coefficients of neutral compounds.
abstract: A nonlinear model equation based on tissue composition (a content of lipids, proteins, and water) for the tissue/blood partition coefficients of compounds was developed. Based on this model, our nonlinear regression analysis for neutral compounds partitioning into the kidney, brain, muscle, lung, liver, heart, and fat resulted in equations with high fitting power (training set: n = 166, r(2) = 0.851, s = 0.260, Q(2) = 0.833) and strong predictive power (test set: n = 49, r(2) = 0.851, s = 0.246, Q(2) = 0.836). This model shows that the tissue/blood partition coefficients of a compound depend strongly on tissue compositions. The magnitudes of partition coefficients of a compound in different tissues are mainly modulated by volume fractions or weight fractions of tissue compositions.
authors.affiliation: Chemistry Department, Beijing Normal University 100875, Beijing, People's Republic of China. hbzhang@bnu.edu.cn
authors.forename: Huabei
authors.initials: H
authors.lastname: Zhang
mesh_terms: D006801:Humans; D017711:Nonlinear Dynamics; D004364:Pharmaceutical Preparations / Q000378:metabolism*; D014018:Tissue Distribution / Q000502:physiology
chemical_list: D004364:Pharmaceutical Preparations