Computer prediction of acute toxicity of thioderivatives of 3,5-bis(5-mercapto-4-R-4H-1,2,4-triazol-3-yl)phenol

• Main Authors: K. K. Isaicheva (Author), A. H. Kaplaushenko (Author)
• Format: Book
• Published: Zaporozhye State Medical University, 2024-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

This study presents the computational prediction of acute toxicity for new derivatives of 3,5-bis(5-mercapto-4-R-4H-1,2,4-triazol-3-yl)phenols and their alkylated analogues. The aim of the work was to evaluate the impact of structural changes, particularly alkylation and chain length extension, on t...