Related Experiment Video
Updated: Oct 19, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Prediction of fish bioconcentration factors of nonpolar organic pollutants based on molecular connectivity indices
Abstract:
The relationship between bioconcentration factors and molecular connectivity indices was investigated. A regression model was developed using 80 measured BCFs of nonpolar organic pollutants. The five topological parameters used were 1 chi, 2 chi, 3 chi c, 0 chi v and 2 chi v. Modified jackknife tests were applied to examine the robustness of the model by repeatedly removing a set of or a class of compounds from the database. The model was compared with one using Kow as an independent parameter. The mean absolute errors for the 80 compounds studied were 0.288 and 0.302 log-unit for the two models, respectively.
More Related Videos
12:24Laboratory Estimation of Net Trophic Transfer Efficiencies of PCB Congeners to Lake Trout (Salvelinus namaycush) from Its Prey
Published on: August 29, 2014
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
Related Concept Videos
Conserved Binding Sites
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally analyses the...
Molecular Shape and Polarity
Physiological Pharmacokinetic Models: Assumption with Protein Binding
Molecular Geometry and Dipole Moments
Intermolecular Forces and Physical Properties