QSAR study and theoretical investigation on the lethality of halogenated aliphatic hydrocarbons toward Aspergillus (A.) Nidulans

The prediction of Aspergillus (A.) nidulans toxicities (log1/D37) for a set of 55 halogenated aliphatic hydrocarbons (HAHs) was thoroughly investigated using density functional theory (DFT) computations. Different multiple linear regression (MLR)methods were employed to assess the reliability of the...

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Bibliographic Details

Published in:	AIMS Environmental Science
Main Authors:	Jabir H. Al-Fahemi, Faten A. Aljiffrey, Elshafie A. M. Gad, Mahmoud A. A. Ibrahim
Format:	Article
Language:	English
Published:	AIMS Press 2025-05-01
Subjects:	qsar dft mlr descriptors qtaim
Online Access:	https://www.aimspress.com/article/doi/10.3934/environsci.2025019