The advent of high speed computer systems has resulted in the evolution of the field of computational toxicology. The application of these computational tools to molecular biomarker development has facilitated the evolution of this field in a number of areas by accelerating access and appreciation of both the current state of knowledge about molecular ...
John H. Duffus+2 more
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Progress in data interoperability to support computational toxicology and chemical safety evaluation. [PDF]
Watford S+4 more
europepmc +3 more sources
Introduction to Special Issue: Computational Toxicology [PDF]
Nicole Kleinstreuer+2 more
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Computational Toxicology [PDF]
Luis G. Valerio, Rakesh Dixit
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Per-and polyfluoroalkyl substances and disrupted sleep: mediating roles of proteins [PDF]
Background: Per-and polyfluoroalkyl substances (PFAS) contamination may disrupt sleep through disrupted metabolic and immune functions. The study aims to investigate the association and potential mechanism between PFAS and sleep. Methods: We included 136
Shiwen Li+16 more
doaj +2 more sources
Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation. [PDF]
Hevener KE.
europepmc +3 more sources
Editorial: Leveraging artificial intelligence and open science for toxicological risk assessment [PDF]
Marc Teunis+3 more
doaj +2 more sources
Computational Toxicology is Now Inseparable from Experimental Toxicology [PDF]
Mark T.D. Cronin
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Aggregating data for computational toxicology applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System. [PDF]
Judson RS+14 more
europepmc +3 more sources
Density Functional Theory in the Prediction of Mutagenicity: A Perspective [PDF]
As a field, computational toxicology is concerned with using in silico models to predict and understand the origins of toxicity. It is fast, relatively inexpensive, and avoids the ethical conundrum of using animals in scientific experimentation.
Grayson, Matthew N., Townsend, Piers
core +2 more sources