Related Experiment Video
Updated: Jul 28, 2026

The Importance of Correct Protein Concentration for Kinetics and Affinity Determination in Structure-function Analysis
Published on: March 17, 2010
QSAR modeling of bioconcentration factors in fish based on fragment constants and structural correction factors
1Department of Urban and Environmental Sciences, Peking University, Beijing, PR China. taos@urban.pku.edu.cn
Abstract:
The quantitative structure-activity relationship between the BCF and fragment constant of organic chemicals was studied using a database containing 337 experimental BCF values. The database covered a large variety of chemicals ranging from the very hydrophobic to the very hydrophilic with logKow values between 0.39 and 8.60. The structural features affecting the BCFs were identified and evaluated during a preliminary modeling. A final linear multivariate regression model was derived that was able to account for as much as 98.0% of the variation in the experimental BCF values. The mean absolute error for the final model was 0.315 log-units. In addition, the predictability and robustness of the model was also evaluated.
More Related Videos
Related Concept Videos
The Equilibrium Binding Constant and Binding Strength
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation
On...
Mechanistic Models: Compartment Models in Individual and Population Analysis
Physiological Pharmacokinetic Models: Assumption with Protein Binding
Pharmacodynamic Models: Linear Concentration–Effect Model

