Ecotoxicity prediction of chemical compounds using machine learning and different molecular structure representations

Advancements in computational tools have facilitated interdisciplinary approaches in toxicology, enabling chemists to explore the toxicity and ecotoxicity of chemical compounds while minimizing ethically questionable or hazardous methods. This paper presents the development of models for predicting...

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Bibliographic Details
Main Authors: Michał Marek, Rafał Kurczab
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Green Analytical Chemistry
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2772577425000692
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