Frontiers in Toxicology | Computational Toxicology and Informatics

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Editors

See all

alexander tropsha

University of North Carolina at Chapel Hill

Chapel Hill, United States

Specialty Chief Editor

Computational Toxicology and Informatics
antreas afantitis

NovaMechanics Ltd

Nicosia, Cyprus

Associate Editor

Computational Toxicology and Informatics
scott auerbach

National Institute of Environmental Health Sciences (NIH)

Durham, United States

Associate Editor

Computational Toxicology and Informatics
luca dellafiora

University of Parma

Parma, Italy

Associate Editor

Computational Toxicology and Informatics

Computational Toxicology and Informatics

Submit your research

Author guidelines

Editor guidelines

Peer review

Publishing fees

Editors

alexander tropsha

antreas afantitis

scott auerbach

luca dellafiora

Articles

Elucidating the mechanistic relationships between peroxisome proliferator–activated receptors and hepatic fibrosis using the ROBOKOP knowledge graph

Developing a predictive model for blood-brain-barrier permeability to explore relevance of in vitro neurotoxicity data for in vivo risk assessment

Quantitative adverse outcome pathway modeling for cigarette smoke-inducible airway mucus hypersecretion. Part 2: Bayesian network modeling for probabilistic risk estimation

Comparing computational times for simulations when using PBPK model template and stand-alone implementations of PBPK models

Research Topics

Application of New Approach Methodologies in Toxicological Assessment of Next Generation Tobacco and Nicotine Products

Educational Frontiers in Computational Toxicology: Building the Future Workforce

The toxicology of cannabis and cannabis-based products

Models, methods, and tools for improved mechanistic understanding in nanotoxicology