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Dataset on aquatic ecotoxicity predictions of 2697 chemicals, using three quantitative structure-activity relationship platforms

Empirical and in silico data on the aquatic ecotoxicology of 2697 organic chemicals were collected in order to compile a dataset for assessing the predictive power of current Quantitative Structure Activity Relationship (QSAR) models and software platforms. This document presents the dataset and the...

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Detalles Bibliográficos
Autores principales: Svedberg, Patrik, Inostroza, Pedro A., Gustavsson, Mikael, Kristiansson, Erik, Spilsbury, Francis, Backhaus, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10641136/
https://www.ncbi.nlm.nih.gov/pubmed/37965605
http://dx.doi.org/10.1016/j.dib.2023.109719