Ensemble machine learning to evaluate the in vivo acute oral toxicity and in vitro human acetylcholinesterase inhibitory activity of organophosphates

L Wang, J Ding, P Shi, L Fu, L Pan, J Tian, D Cao… - Archives of …, 2021‏ - Springer
Organophosphates (OPs) are hazardous chemicals widely used in industry and agriculture.
Distribution of their residues in nature causes serious risks to humans, animals, and plants …

The use of Bayesian methodology in the development and validation of a tiered assessment approach towards prediction of rat acute oral toxicity

JW Firman, MTD Cronin, PH Rowe, E Semenova… - Archives of …, 2022‏ - Springer
There exists consensus that the traditional means by which safety of chemicals is assessed—
namely through reliance upon apical outcomes obtained following in vivo testing—is …

Evaluation of selected indigenous spices-and herbs-derived small molecules as potential inhibitors of SREBP and its implications for breast cancer using MD …

U Tiwari, S Akhtar, SS Mir, MKA Khan - Molecular Diversity, 2025‏ - Springer
In this study, we conducted an extensive analysis of 252 bioactive compounds derived from
native spices and herbs for their potential anti-breast cancer activity against sterol regulatory …

Network pharmacology combined with molecular docking and molecular dynamics to verify the therapeutic potential of mung beans (Vigna radiata) against prostate …

D Syahputra, Y Ysrafil, FD Alexandra, RK Praja… - Beni-Suef University …, 2024‏ - Springer
Background Prostate cancer is the most common oncological disease in men and one of
leading causes of death worldwide. Growing evidence has demonstrated the effectiveness …