Chem. Res. Toxicol.

Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World.

Seal S, Mahale M, García-Ortegón M, ..., Carpenter AE, Bender A

Chem. Res. Toxicol. 38 (5) 759-807 [2025-05-19; online 2025-05-02]

Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data.

Seal S, Williams D, Hosseini-Gerami L, ..., Spjuth O, Bender A

Chem. Res. Toxicol. 37 (8) 1290-1305 [2024-08-19; online 2024-07-09]

Binding of Pollutants to Biomolecules: A Simulation Study.

Yildirim A, Zhang J, Manzetti S, van der Spoel D

Chem. Res. Toxicol. 29 (10) 1679-1688 [2016-10-17; online 2016-09-13]

Affiliated researcher

Chemical properties, environmental fate, and degradation of seven classes of pollutants.

Manzetti S, van der Spoel ER, van der Spoel D

Chem. Res. Toxicol. 27 (5) 713-737 [2014-05-19; online 2014-03-28]