Computational Toxicology
Using life expectancy as a risk assessment metric: The case of respirable crystalline silica
Publication date: Available online 5 July 2023Source: Computational ToxicologyAuthor(s): Andrey A. Korchevskiy, Arseniy Korchevskiy
Computational Toxicology
Interactions of coumarin and amine ligands with six cytochrome P450 2D6 allelic variants: molecular docking
Publication date: Available online 5 July 2023Source: Computational ToxicologyAuthor(s): Amelia Nathania Dong, Nafees Ahemad, Yan Pan, Uma Devi Palanisamy, Chin Eng Ong
Computational Toxicology
From modeling dose-response relationships to improved performance of decision-tree classifiers for predictive toxicology of nanomaterials
Publication date: August 2023Source: Computational Toxicology, Volume 27Author(s): Roni Romano, Alexander Barbul, Rafi Korenstein
Computational Toxicology
Potential inhibitors of extra-synaptic NMDAR/TRPM4 interaction: Screening, molecular docking, and structure-activity analysis
Publication date: August 2023Source: Computational Toxicology, Volume 27Author(s): Elif Deniz, Fuat Karakuş, Burak Kuzu
Computational Toxicology
Structural alerts and Machine learning modeling of “Six-pack” toxicity as alternative to animal testing
Publication date: August 2023Source: Computational Toxicology, Volume 27Author(s): Yaroslav Chushak, Jeffery M. Gearhart, Rebecca A. Clewell
Computational Toxicology
Dihydroartemisinin Binds Human <em>PI3K-</em>Affinity Pocket and Forces Flat Conformation In P-loop <em>MET<sup>783</sup></em>: A Molecular Dynamics Study
Publication date: Available online 26 June 2023Source: Computational ToxicologyAuthor(s): Omotuyi I. Olaposi, Nash Oyekanmi, Metibemu D. Samuel, Iwegbulam G. Chiamaka, Olusina M. Olatunji, Emmanuel Agbebi, Falade C. Olufunke
Computational Toxicology
New insights into binary mixture toxicology: 2. Effects of reactive oxygen species generated by some carboxylic diesters on marine and freshwater organisms (VIII)
Publication date: Available online 5 July 2023Source: Computational ToxicologyAuthor(s): Sergiu Adrian Chicu
Computational Toxicology
QSAR modeling of chronic rat toxicity of diverse organic chemicals
Publication date: May 2023Source: Computational Toxicology, Volume 26Author(s): Ankur Kumar, Probir Kumar Ojha, Kunal Roy
Computational Toxicology
Evaluation of chemical grouping workflows for flavor inhalation risk assessment: Selected furan moiety-containing chemicals as a case study
Publication date: May 2023Source: Computational Toxicology, Volume 26Author(s): Amanda N. Buerger, Andrey Massarsky, Anthony Russell, Nicole Zoghby, Carole Hirn, Daniel Mucs, Irene Baskerville-Abraham, Andrew Maier
Computational Toxicology
Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library
Publication date: May 2023Source: Computational Toxicology, Volume 26Author(s): Grace Patlewicz, Katie Paul-Friedman, Keith Houck, Li Zhang, Ruili Huang, Menghang Xia, Jason Brown, Steven O. Simmons