Machine learning prediction of acute toxicity with in vivo experiments on tetrazole derivatives
Danil P. Zarezin, Alexander Albertovich Shtil, Valentine G. Nenajdenko, Sophia S. Borisevich · RSC Medicinal Chemistry · 2025
Mordred software to explore quantitative structure-activity relationships, and additionally, the model's robustness was demonstrated by measuring the acute toxicity of tetrazole derivatives synthesized through the azido-Ugi reaction.