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Updated: Jan 23, 2026

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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
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Redes moleculares, predicciones conformes y modelos revisados basados en huellas dactilares para descubrir
Yvonne Kreutzer1, Ida Rahu1,2, Ulf Norinder3,4
1Department of Chemistry, Stockholm University, Svante Arrhenius Väg 16, 106 91, Stockholm, Sweden.
Analytical and bioanalytical chemistry
|January 21, 2026
Resumen
Los contaminantes ambientales de alto riesgo se priorizaron utilizando aprendizaje automático y nuevos métodos como las redes moleculares. Los modelos basados en huellas dactilares mostraron las tasas de falsos positivos más bajas, mejorando la identificación de contaminantes en aguas residuales.
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