Results 1 to 10 of about 19,539 (254)

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

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

Methods Mol Biol, 2013
Zhu H.
europepmc   +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

Utilizing Multiple Behavioral Endpoints to Identify Negative Control Chemicals in a Larval Zebrafish Behavior Assay [PDF]

Toxics
Identifying reliable negative control compounds is essential for determining the sensitivity and specificity of screening assays. However, well-characterized negative controls for developmental neurotoxicity behavioral assays in larval zebrafish (Danio ...
Bridget R. Knapp, Deborah L. Hunter, Jeanene K. Olin, Stephanie Padilla, Kimberly A. Jarema   +4 more
doaj   +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

The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency. [PDF]

Toxicol Sci, 2019
Thomas RS, Bahadori T, Buckley TJ, Cowden J, Deisenroth C, Dionisio KL, Frithsen JB, Grulke CM, Gwinn MR, Harrill JA, Higuchi M, Houck KA, Hughes MF, Hunter ES, Isaacs KK, Judson RS, Knudsen TB, Lambert JC, Linnenbrink M, Martin TM, Newton SR, Padilla S, Patlewicz G, Paul-Friedman K, Phillips KA, Richard AM, Sams R, Shafer TJ, Setzer RW, Shah I, Simmons JE, Simmons SO, Singh A, Sobus JR, Strynar M, Swank A, Tornero-Valez R, Ulrich EM, Villeneuve DL, Wambaugh JF, Wetmore BA, Williams AJ.   +41 more
europepmc   +3 more sources