Results 11 to 20 of about 3,045,461 (301)

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

Comput Toxicol, 2023
The need to analyze the complex relationships observed in high-throughput toxicogenomic and other omic platforms has resulted in an explosion of methodological advances in computational toxicology.
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

Decoding per- and polyfluoroalkyl substances (PFAS) in hepatocellular carcinoma: a multi-omics and computational toxicology approach. [PDF]

J Transl Med
Per- and polyfluoroalkyl substances (PFAS), particularly perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), are synthetic chemicals known for their widespread use and environmental persistence.
Hong Y, Wang D, Liu Z, Chen Y, Wang Y, Li J.   +5 more
europepmc   +2 more sources

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

Brief Bioinform
Toxicity risk assessment plays a crucial role in determining the clinical success and market potential of drug candidates. Traditional animal-based testing is costly, time-consuming, and ethically controversial, which has led to the rapid development of ...
Zhang J, Li H, Zhang Y, Huang J, Ren L, Zhang C, Zou Q, Zhang Y.   +7 more
europepmc   +2 more sources

Research trends of computational toxicology: a bibliometric analysis. [PDF]

Toxicol Res (Camb)
BACKGROUND Computational toxicology utilizes computer models and simulations to predict the toxicity of chemicals. Bibliometric studies evaluate the impact of scientific research in a specific field. METHODS A bibliometric analysis of the computational
Yarmohammadi F, Hayes AW, Karimi G.
europepmc   +2 more sources

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

Comput Toxicol, 2019
The US Environmental Protection Agency’s (EPA) Distributed Structure-Searchable Toxicity (DSSTox) database, launched publicly in 2004, currently exceeds 875 K substances spanning hundreds of lists of interest to EPA and environmental researchers.
Grulke CM, Williams AJ, Thillanadarajah I, Richard AM.   +3 more
europepmc   +2 more sources

Advancing Computational Toxicology in the Big Data Era by Artificial Intelligence: Data-Driven and Mechanism-Driven Modeling for Chemical Toxicity. [PDF]

Chem Res Toxicol, 2019
In 2016, the Frank R. Lautenberg Chemical Safety for the 21st Century Act became the first US legislation to advance chemical safety evaluations by utilizing novel testing approaches that reduce the testing of vertebrate animals.
Ciallella HL, Zhu H.
europepmc   +2 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

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

Toxicol Appl Pharmacol, 2019
New approach methodologies (NAMs) in chemical safety evaluation are being explored to address the current public health implications of human environmental exposures to chemicals with limited or no data for assessment.
Watford S, Edwards S, Angrish M, Judson RS, Paul Friedman K.   +4 more
europepmc   +2 more sources

Computational toxicology using the OpenTox application programming interface and Bioclipse

BMC Research Notes, 2011
Background Toxicity is a complex phenomenon involving the potential adverse effect on a range of biological functions. Predicting toxicity involves using a combination of experimental data (endpoints) and computational methods to generate a set of ...
Willighagen Egon L, Jeliazkova Nina, Hardy Barry, Grafström Roland C, Spjuth Ola   +4 more
doaj   +2 more sources