Multi-Endpoint Acute Toxicity Assessment of Organic Compounds Using Large-Scale Machine Learning Modeling
Amirreza Daghighi,
Gerardo M. Casanola-Martin,
Kweeni Iduoku
et al.
Abstract:In recent years, alternative animal testing methods such
as computational
and machine learning approaches have become increasingly crucial for
toxicity testing. However, the complexity and scarcity of available
biomedical data challenge the development of predictive models. Combining
nonlinear machine learning together with multicondition descriptors
offers a solution for using data from various assays to create a robust
model. This work applies multicondition descriptors (MCDs) to develop
a QSTR (Quantitative… Show more
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