Results 11 to 20 of about 2,598,515 (356)

Progress in data interoperability to support computational toxicology and chemical safety evaluation. [PDF]

Toxicol Appl Pharmacol, 2019
Watford S, Edwards S, Angrish M, Judson RS, Paul Friedman K.   +4 more
europepmc   +4 more sources

Introduction to Special Issue: Computational Toxicology [PDF]

Chemical Research in Toxicology, 2021
Nicole Kleinstreuer, Igor V. Tetko, Weida Tong   +2 more
semanticscholar   +5 more sources

Usage of model combination in computational toxicology

Toxicology Letters, 2023
New Approach Methodologies (NAMs) have ushered in a new era in the field of toxicology, aiming to replace animal testing. However, despite these advancements, they are not exempt from the inherent complexities associated with the study's endpoint. In this review, we have identified three major groups of complexities: mechanistic, chemical space, and ...
Rodríguez-Belenguer, Pablo, March-Vila, Eric, Pastor, Manuel, Mangas-Sanjuan, Victor, Soria-Olivas, Emilio   +4 more
openaire   +3 more sources

Federated Learning in Computational Toxicology: An Industrial Perspective on the Effiris Hackathon. [PDF]

Chem Res Toxicol, 2023
In silico approaches have acquired a towering role in pharmaceutical research and development, allowing laboratories all around the world to design, create, and optimize novel molecular entities with unprecedented efficiency.
Bassani D, Brigo A, Andrews-Morger A.
europepmc   +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   +2 more sources

In Vitro and Predictive Computational Toxicology Methods for the Neurotoxic Pesticide Amitraz and Its Metabolites. [PDF]

Brain Sci, 2023
The Varroa destructor parasite is responsible for varroasis in honeybees worldwide, the most destructive disease among parasitic diseases. Thus, different insecticides/acaricides have been widely used within beehives to control these parasitic diseases ...
Giorgini M, Taroncher M, Ruiz MJ, Rodríguez-Carrasco Y, Tolosa J.   +4 more
europepmc   +2 more sources

Use of computational toxicology tools to predict in vivo endpoints associated with Mode of Action and the endocannabinoid system: A case study with chlorpyrifos, chlorpyrifos-oxon and ^Δ9Tetrahydrocannabinol. [PDF]

Curr Res Toxicol, 2022
Silva M, Kwok RK.
europepmc   +2 more sources

Computational Toxicology [PDF]

Chemical Research in Toxicology, 2020
Nicole C. Kleinstreuer, Weida Tong, Igor V. Tetko   +2 more
openaire   +3 more sources

Leveraging machine learning models in evaluating ADMET properties for drug discovery and development [PDF]

ADMET and DMPK
Background and purpose: The evaluation of ADMET properties remains a critical bottleneck in drug discovery and development, contributing significantly to the high attrition rate of drug candidates.
Magesh Venkataraman, Gopi Chand Rao, Jeevan Karthik Madavareddi , Srinivas Rao Maddi   +3 more
doaj   +2 more sources

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

Toxicol Sci, 2019
The U.S. Environmental Protection Agency (EPA) is faced with the challenge of efficiently and credibly evaluating chemical safety often with limited or no available toxicity data.
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   +2 more sources