In-silico model for T. platyurus acute toxicity
2021
Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy
The crustacean Thamnocephalus platyurus is increasingly used in ecotoxicity testing. The aim of this study was to develop computational models to predict toxicity in T. platyurus. Therefore, Quantitative Structure-Activity Relationship (QSAR) models were established for the prediction of acute toxicity.
Publicly available LC50 data for 72 organic compounds were used for model development, and the principles of QSAR modelling recommended by the Organization for Economic Cooperation and Development (OECD) were followed.
Despite the availability of only a small data set, the models gave promising results and identified descriptors with an important impact on toxicity towards T. platyurus. The additional descriptor analyses also provide a mechanistic interpretation of the results.
Ecotoxicological QSAR modeling of the acute toxicity of organic compounds to the freshwater crustacean Thamnocephalus platyurus
Diego Baderna
Added on: 03-11-2024
[1] https://www.sciencedirect.com/science/article/abs/pii/S0045653521011231?via%3Dihub
