Results 171 to 180 of about 1,723,253 (280)

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   +1 more source

A Comprehensive Study to Compare Different Compound Representations for Predicting Carcinogenicity In Vivo

Journal of Applied Toxicology, EarlyView.
ABSTRACT Carcinogenicity evaluation is a critical component of chemical risk assessment, yet traditional in vivo testing remains time consuming, costly, and ethically challenging. Computational approaches based on machine learning offer promising alternatives, but the relative contributions of different molecular representation strategies for ...
Iuri Barbosa Pereira, Rogerio Salvini, Eloisa Dutra Caldas   +2 more
wiley   +1 more source

Pilot study on benzene exposure risks in healthcare workers: a combined socio-demographic and computational toxicology approach. [PDF]

Front Public Health
Zhang Y, Nisa WU, Rashid A, Saleem AR, Riaz L, Kalsoom S, Idris AM, Yu G, Ullah H.   +8 more
europepmc   +1 more source

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   +1 more source

High‐Content Screening Comparison of 1R6F Cigarette Smoke Extract and Selected Heated Tobacco and Electronic Vapour Product Aerosol Extracts in Endothelial and Bronchial Epithelial Cell Models

Journal of Applied Toxicology, EarlyView.
ABSTRACT Cigarettes induce oxidative stress and DNA damage, processes that contribute to cardiovascular and pulmonary disease. High content screening (HCS) is an increasingly valuable tool for comparative toxicology because it enables simultaneous quantification of multiple mechanistic endpoints at single‐cell resolution. In this study, HCS was used to
Edgar Trelles Sticken, Konstantinos Papikinos, Fiona Chapman, Roman Wieczorek, Sarah Jean Pour, Torge Evenburg, Sandra Otte, Tiandan Wu, Liam Simms, Matthew Stevenson   +9 more
wiley   +1 more source

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

Toxicol Res (Camb)
Yarmohammadi F, Hayes AW, Karimi G.
europepmc   +1 more source

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   +1 more source

Ionic liquids: structure–toxicity relationships, predictive toxicology, and sustainable design

Journal of Chemical Technology &Biotechnology, EarlyView.
Abstract Ionic liquids (ILs) have often been described as green alternatives to conventional solvents because of their negligible vapor pressure and highly tunable properties. However, low volatility does not necessarily translate into environmental safety, as their biological and ecological effects are strongly influenced by molecular structure.
Letícia Zanchet, Letícia Guerreiro da Trindade, Monize Bürck, Gabriela Rosa dos Santos, Matheus Klein, Aryel Heitor Ferreira   +5 more
wiley   +1 more source

Evaluating the Enantioselective Neurotoxicity of Organophosphorus Pollutant Dioxabenzofos: Mechanistic Studies Employing Cellular, Molecular, and Computational Toxicology Assays. [PDF]

ACS Omega
He ZC, Zhang T, Lu XF, Li R, Mei Q, Wang QZ, Ding F, Peng W.   +7 more
europepmc   +1 more source

Fluorenone and Fluorenemalononitrile‐Tethered Conjugated Microporous Polymers for Efficient CO2 Uptake and Rhodamine B Removal

Macromolecular Rapid Communications, EarlyView.
TPET‐F2CN CMP exhibited higher CO2 uptake (2.88 mmol g−1 at 273 K) and superior Rhd B adsorption, with an equilibrium capacity of 98.12 mg g−1 and a maximum monolayer capacity of 155.6 mg g−1. ABSTRACT Herein, two conjugated microporous polymers (CMPs), TPET‐FO and TPET‐F2CN, are functionalized with carbonyl and nitrile groups.
Mohamed Gamal Mohamed, Ahmed M. Elewa, Nian‐Ping Chen, Ahmed F. Saber, Hira Karim, Yun‐Sheng Ye, Mohsin Ejaz, Cheng‐Wei Huang, Shiao‐Wei Kuo   +8 more
wiley   +1 more source