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Target Site Model: Application of the Polyparameter Target Lipid Model to Predict Aquatic Organism Acute Toxicity for Various Modes of Action.

A new interesting article has been published in Environ Toxicol Chem. 2018 Sep 25. doi: 10.1002/etc.4278. and titled:

Target Site Model: Application of the Polyparameter Target Lipid Model to Predict Aquatic Organism Acute Toxicity for Various Modes of Action.

Authors of this article are:
Boone KS Di Toro DM.

A summary of the article is shown below:
A database of 2,049 chemicals with 47 associated modes of action is compiled from literature. The database includes alkanes, polycyclic aromatic hydrocarbons (PAH), pesticides, inorganic, and polar compounds. Brief descriptions of some critical mode of action (MoA) classification groups are provided. The MoA from the 14 sources were assigned using a variety of reliable experimental and modeling techniques. Toxicity information, chemical parameters, and solubility limits were combined with the MoA label information to create the dataset used for model development. The model database was used to generate linear free energy relationships (LFER) for each specific MoA using multilinear regression analysis. The model uses chemical specific Abraham solute parameters estimated from AbSolv to determine mode of action specific solvent parameters.(Advanced Chemistry Development 1996) With this procedure, critical target site concentrations are determined for each genus. Statistical analysis showed a wide range in values of the solvent parameters for the significant MoA. This article is protected by copyright. All rights reserved.

Check out the article’s website on Pubmed for more information:



This article is a good source of information and a good way to become familiar with topics such as: Aquatic Toxicology;Environmental Modeling;Mode of Action;Pesticide Risk Assessment;Quantitative Structure-Activity Relationships.

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