Predicting toxicity of triazole fungicide: A molecular-based insight into triadimefon and triadimenol

Background: Triazole fungicides, such as triadimefon (TF) and its stereoisomeric metabolite, triadimenol (TN), remain cornerstone agrochemicals. However, their stereochemistry may affect shape reactivity, intermolecular recognition, and ecotoxicity in different ways, with potential impacts on non-ta...

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Autori principali:	Áureo B. Souza, Ronaldo G. Freitas Junior, Ana L.M. Monteiro, Leonardo R. de Almeida, Lucas D. Dias, Lucas B. Ribeiro de Carvalho, Hamilton B. Napolitano, Leonardo L. Borges, Antônio S.N. Aguiar
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	Elsevier 2026-06-01
Serie:	Results in Chemistry
Soggetti:	Triazoles Fungicides, DFT, supramolecular arrangement Toxicity prediction
Accesso online:	http://www.sciencedirect.com/science/article/pii/S2211715626002419
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