Applicability domains of neural networks for toxicity prediction

Applicability domains of neural networks for toxicity prediction

In this paper, the term "applicability domain" refers to the range of chemical compounds for which the statistical quantitative structure-activity relationship (QSAR) model can accurately predict their toxicity. This is a crucial concept in the development and practical use of these models...

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Bibliographic Details
Main Authors: Efrén Pérez-Santín, Luis de-la-Fuente-Valentín, Mariano González García, Kharla Andreina Segovia Bravo, Fernando Carlos López Hernández, José Ignacio López Sánchez
Format: Article
Language:English
Published: AIMS Press 2023-10-01
Series:AIMS Mathematics
Subjects:
applicability domain
oecd principles
quantitative structure-activity relationship (qsar)
toxicity
machine learning
Online Access:https://www.aimspress.com/article/doi/10.3934/math.20231426?viewType=HTML

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https://www.aimspress.com/article/doi/10.3934/math.20231426?viewType=HTML

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