Artificial intelligence for drug toxicity and safety

AO Basile, A Yahi, NP Tatonetti - Trends in pharmacological sciences, 2019 - cell.com
Interventional pharmacology is one of medicine's most potent weapons against disease.
These drugs, however, can result in damaging side effects and must be closely monitored …

Review of machine learning and deep learning models for toxicity prediction

W Guo, J Liu, F Dong, M Song, Z Li… - Experimental …, 2023 - journals.sagepub.com
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 …

Machine learning models for predicting cytotoxicity of nanomaterials

Z Ji, W Guo, EL Wood, J Liu, S Sakkiah… - Chemical Research …, 2022 - ACS Publications
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 …

Deep learning models for predicting gas adsorption capacity of nanomaterials

W Guo, J Liu, F Dong, R Chen, J Das, W Ge, X Xu… - Nanomaterials, 2022 - mdpi.com
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 …

Machine learning and deep learning for brain tumor MRI image segmentation

MKH Khan, W Guo, J Liu, F Dong, Z Li… - Experimental …, 2023 - journals.sagepub.com
Brain tumors are often fatal. Therefore, accurate brain tumor image segmentation is critical
for the diagnosis, treatment, and monitoring of patients with these tumors. Magnetic …

Development of decision forest models for prediction of drug-induced liver injury in humans using a large set of FDA-approved drugs

H Hong, S Thakkar, M Chen, W Tong - Scientific reports, 2017 - nature.com
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 …

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology

C Selvaraj, S Sakkiah, W Tong, H Hong - Food and Chemical Toxicology, 2018 - Elsevier
Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical
researches to explore toxicity of various biological systems. Investigating biological systems …

High-throughput screening to identify chemical cardiotoxic potential

S Krishna, B Berridge… - Chemical Research in …, 2020 - ACS Publications
Cardiovascular (CV) disease is one of the most prevalent public health concerns, and
mounting evidence supports the contribution of environmental chemicals to CV disease …

Experimental data extraction and in silico prediction of the estrogenic activity of renewable replacements for bisphenol A

H Hong, BG Harvey, GR Palmese… - International journal of …, 2016 - mdpi.com
Bisphenol A (BPA) is a ubiquitous compound used in polymer manufacturing for a wide
array of applications; however, increasing evidence has shown that BPA causes significant …

Machine learning models for predicting liver toxicity

J Liu, W Guo, S Sakkiah, Z Ji, G Yavas, W Zou… - In Silico Methods for …, 2022 - Springer
Liver toxicity is a major adverse drug reaction that accounts for drug failure in clinical trials
and withdrawal from the market. Therefore, predicting potential liver toxicity at an early stage …