Machine learning methods in drug discovery
The advancements of information technology and related processing techniques have
created a fertile base for progress in many scientific fields and industries. In the fields of drug …
created a fertile base for progress in many scientific fields and industries. In the fields of drug …
Review of machine learning and deep learning models for toxicity prediction
The ever-increasing number of chemicals has raised public concerns due to their adverse
effects on human health and the environment. To protect public health and the environment …
effects on human health and the environment. To protect public health and the environment …
Machine learning models for predicting cytotoxicity of nanomaterials
The wide application of nanomaterials in consumer and medical products has raised
concerns about their potential adverse effects on human health. Thus, more and more …
concerns about their potential adverse effects on human health. Thus, more and more …
Bisphenol A Analogs Induce Cellular Dysfunction in Human Trophoblast Cells in a Thyroid Hormone Receptor-Dependent Manner: In Silico and In Vitro Analyses
X Wu, X Yang, X Geng, X Ji, X Zhang… - Environmental …, 2022 - ACS Publications
Bisphenol A (BPA) and its analogs are frequently detected in human daily necessities and
environmental media. Placental thyroid hormone plays an important role in fetal …
environmental media. Placental thyroid hormone plays an important role in fetal …
Deep learning models for predicting gas adsorption capacity of nanomaterials
Metal–organic frameworks (MOFs), a class of porous nanomaterials, have been widely used
in gas adsorption-based applications due to their high porosities and chemical tunability. To …
in gas adsorption-based applications due to their high porosities and chemical tunability. To …
First report on occurrence of bisphenol A isomers in human serum and whole blood
Z Li, W Mao, L Yao, N Zhao, Y Zhang, M Zhao… - Journal of Hazardous …, 2022 - Elsevier
Studies have demonstrated the worldwide presence of bisphenol A (BPA) and its toxic
effects on human health. BPA may exist as several structural isomers, which are byproducts …
effects on human health. BPA may exist as several structural isomers, which are byproducts …
Development of decision forest models for prediction of drug-induced liver injury in humans using a large set of FDA-approved drugs
Drug-induced liver injury (DILI) presents a significant challenge to drug development and
regulatory science. The FDA's Liver Toxicity Knowledge Base (LTKB) evaluated> 1000 …
regulatory science. The FDA's Liver Toxicity Knowledge Base (LTKB) evaluated> 1000 …
Molecular dynamics simulations and applications in computational toxicology and nanotoxicology
Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical
researches to explore toxicity of various biological systems. Investigating biological systems …
researches to explore toxicity of various biological systems. Investigating biological systems …
BPA replacement compounds: current status and perspectives
Since growing evidence has manifested that bisphenol A (BPA) may adversely affect human
health, numerous BPA replacement compounds have been gradually introduced into the …
health, numerous BPA replacement compounds have been gradually introduced into the …
Endocrine disruption: Molecular interactions of environmental bisphenol contaminants with thyroid hormone receptor and thyroxine-binding globulin
Many bisphenol A (BPA) analogs have been commercially used recently, such as 2, 2-bis (4-
hydroxyphenyl) butane (BPB), 4, 4′-ethylidenebisphenol, 4, 4′-methylenediphenol (BPF) …
hydroxyphenyl) butane (BPB), 4, 4′-ethylidenebisphenol, 4, 4′-methylenediphenol (BPF) …