Results 1 to 10 of about 19,851 (257)

Overview of Computational Toxicology Methods Applied in Drug and Green Chemical Discovery [PDF]

Journal of Xenobiotics
In the field of computational chemistry, computer models are quickly and cheaply constructed to predict toxicology hazards and results, with no need for test material or animals as these computational predictions are often based on physicochemical ...
Jose I. Bueso-Bordils, Gerardo M. Antón-Fos, Rafael Martín-Algarra, Pedro A. Alemán-López   +3 more
doaj   +2 more sources

ToxicR: A computational platform in R for computational toxicology and dose-response analyses. [PDF]

Comput Toxicol, 2023
Wheeler MW, Lim S, House J, Shockley K, Bailer AJ, Fostel J, Yang L, Talley D, Raghuraman A, Gift JS, Davis JA, Auerbach SS, Motsinger-Reif AA.   +12 more
europepmc   +3 more sources

The digital evolution in toxicology: pioneering computational education for emerging challenges

BMC Medical Education
The educational landscape of toxicology is increasingly integrating computational methodologies due to ethical concerns about animal testing and advancements in biotechnological and data analysis tools.
Jin Wang, Jianxiang Li
doaj   +2 more sources

EPA's DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research. [PDF]

Comput Toxicol, 2019
Grulke CM, Williams AJ, Thillanadarajah I, Richard AM.   +3 more
europepmc   +2 more sources

From QSAR to QSIIR: searching for enhanced computational toxicology models. [PDF]

Methods Mol Biol, 2013
Zhu H.
europepmc   +2 more sources

Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction. [PDF]

Brief Bioinform
Zhang J, Li H, Zhang Y, Huang J, Ren L, Zhang C, Zou Q, Zhang Y.   +7 more
europepmc   +2 more sources

A Computational Toxicology Approach to Screen the Hepatotoxic Ingredients in Traditional Chinese Medicines: Polygonum multiflorum Thunb as a Case Study. [PDF]

Biomolecules, 2019
He S, Zhang X, Lu S, Zhu T, Sun G, Sun X.   +5 more
europepmc   +3 more sources

Current Knowledge on the Use of Computational Toxicology in Hazard Assessment of Metallic Engineered Nanomaterials. [PDF]

Int J Mol Sci, 2017
Chen G, Peijnenburg W, Xiao Y, Vijver MG.   +3 more
europepmc   +3 more sources

Predicting molecular initiating events using chemical target annotations and gene expression

BioData Mining, 2022
Background The advent of high-throughput transcriptomic screening technologies has resulted in a wealth of publicly available gene expression data associated with chemical treatments.
Joseph L. Bundy, Richard Judson, Antony J. Williams, Chris Grulke, Imran Shah, Logan J. Everett   +5 more
doaj   +1 more source

A harmonized chemical monitoring database for support of exposure assessments

Scientific Data, 2022
Measurement(s) occurrence of chemicals in environmental and biological media Technology Type(s) mass spectrometry (curation of public data) Sample Characteristic - Organism Homo sapiens • aquatic invertebrates • aquatic vertebrates/mammals • birds • fish
Kristin K. Isaacs, Jonathan T. Wall, Ashley R. Williams, Kevin A. Hobbie, Jon R. Sobus, Elin Ulrich, David Lyons, Kathie L. Dionisio, Antony J. Williams, Christopher Grulke, Caroline A. Foster, Josiah McCoy, Charles Bevington   +12 more
doaj   +1 more source