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1) Hybrid QSAR modeling of LD50 in organophosphorus nerve agents: a mechanistic approach using DFT and molecular docking.
Computational Toxicology Volume 35, September 2025, 100363
- DOI:
http://dx.doi.org/https://doi.org/10.1016/j.comtox.2025.100363
- DOI:
http://dx.doi.org/https://doi.org/10.1016/j.comtox.2024.100329