Results 31 to 40 of about 21,882 (246)

Development of Prediction Models for Drug-Induced Cholestasis, Cirrhosis, Hepatitis, and Steatosis Based on Drug and Drug Metabolite Structures

Frontiers in Pharmacology, 2020
Drug-induced liver injury (DILI) is one of the major reasons for termination of drug development. Due to the importance of predicting DILI in early phases of drug development, diverse in silico models have been developed to filter out DILI-causing ...
Hyun Kil Shin, Myung-Gyun Kang, Daeui Park, Daeui Park, Tamina Park, Tamina Park, Seokjoo Yoon, Seokjoo Yoon   +7 more
doaj   +1 more source

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   +1 more source

Lonicera japonica‐Derived Nanovesicles Ameliorate Acute Lung Injury by Suppressing Neutrophil Extracellular Traps Formation in Mice

Advanced Healthcare Materials, EarlyView.
(A) Isolation and purification of LDNVs. (B) Establishment of the ALI model and LDNVs delivery. (C) Therapeutic mechanisms of LDNVs in treating ALI. This scheme figure was drawn by Figdraw, ID: IUIIO21222. ABSTRACT Acute lung injury (ALI) is a lethal respiratory disease.
Xi Lin, Jian Lin, Yezi Zhang, Xinyan Zhang, Xinghua Liu, Hongying Cao, Huan Shen, Jianming Liang, Zhenhua Dai, Siyuan Xu, Xingdong Lin   +10 more
wiley   +1 more source

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   +2 more sources

Mesoporous Silica Nanoparticles in Biomedicine: Advances and Prospects

Advanced Materials, EarlyView.
Mesoporous silica nanoparticles offer unique properties like high surface area, tunable pores, and functionalization. They excel in drug delivery, tissue engineering, and stimuli‐responsive therapies, enabling targeted and controlled treatments. With roles in cancer therapy and diagnostics, their clinical translation requires addressing challenges in ...
Miguel Manzano, María Vallet‐Regí
wiley   +1 more source

OPERA models for predicting physicochemical properties and environmental fate endpoints

Journal of Cheminformatics, 2018
The collection of chemical structure information and associated experimental data for quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful
Kamel Mansouri, Chris M. Grulke, Richard S. Judson, Antony J. Williams   +3 more
doaj   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Modeling and insights into the structural characteristics of drug-induced autoimmune diseases

Frontiers in Immunology, 2022
The incidence and complexity of drug-induced autoimmune diseases (DIAD) have been on the rise in recent years, which may lead to serious or fatal consequences. Besides, many environmental and industrial chemicals can also cause DIAD.
Huizhu Guo, Peitao Zhang, Ruiqiu Zhang, Yuqing Hua, Pei Zhang, Xueyan Cui, Xin Huang, Xiao Li, Xiao Li   +8 more
doaj   +1 more source

Recent Advances in Ferrite‐Based Materials for Biomedical Applications: A Comprehensive Review

Advanced Materials, EarlyView.
Ferrite nanoplatforms are presented as tunable biomedical materials in which synthesis control, cation engineering, defect/morphology regulation, and surface functionalization govern structure–property–bioactivity relationships. These design strategies enable multifunctional applications including MRI contrast, magnetic hyperthermia, targeted drug ...
Pramod D. Mhase, Varsha C. Pujari, Akash V. Fulari, Sunil M. Patange, Sean Li, Danyang Wang, Sagar E. Shirsath   +6 more
wiley   +1 more source

Cupressus sempervirens Essential Oil: Exploring the Antibacterial Multitarget Mechanisms, Chemcomputational Toxicity Prediction, and Safety Assessment in Zebrafish Embryos

Molecules, 2022
Nowadays, increasing interest has recently been given to the exploration of new food preservatives to avoid foodborne outbreaks or food spoilage. Likewise, new compounds that substitute the commonly used synthetic food preservatives are required to ...
Sarra Akermi, Slim Smaoui, Khaoula Elhadef, Mariam Fourati, Nacim Louhichi, Moufida Chaari, Ahlem Chakchouk Mtibaa, Aissette Baanannou, Saber Masmoudi, Lotfi Mellouli   +9 more
doaj   +1 more source