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Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50).
Iovine, Nadia; Toropova, Alla P; Toropov, Andrey A; Roncaglioni, Alessandra; Benfenati, Emilio.
Afiliación
  • Iovine N; Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy.
  • Toropova AP; Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy.
  • Toropov AA; Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy.
  • Roncaglioni A; Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy.
  • Benfenati E; Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy.
Toxics ; 12(6)2024 Jun 12.
Article en En | MEDLINE | ID: mdl-38922105
ABSTRACT
Typical in silico models for ecotoxicology focus on a few endpoints, but there is a need to increase the diversity of these models. This study proposes models using the NOEC for the harlequin fly (Chironomus riparius) and EC50 for swollen duckweed (Lemna gibba) for the first time. The data were derived from the EFSA OpenFoodTox database. The models were based on the correlation weights of molecular features used to calculate the 2D descriptor in CORAL software. The Monte Carlo method was used to calculate the correlation weights of the algorithms. The determination coefficients of the best models for the external validation set were 0.74 (NOAEC) and 0.85 (EC50).
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Toxics Año: 2024 Tipo del documento: Article País de afiliación: Italia Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Toxics Año: 2024 Tipo del documento: Article País de afiliación: Italia Pais de publicación: Suiza