Triclosan: Antimicrobial mechanisms, antibiotics interactions, clinical applications, and human health

P Shrestha, Y Zhang, WJ Chen… - Journal of Environmental …, 2020 - Taylor & Francis
The large-scale applications of Triclosan in industrial and household products have created
many health and environmental concerns. Despite the fears of its drug-resistance and other …

Machine learning methods for endocrine disrupting potential identification based on single-cell data

Z Aghayev, AT Szafran, A Tran, HS Ganesh… - Chemical Engineering …, 2023 - Elsevier
Humans are continuously exposed to a variety of toxicants and chemicals which is
exacerbated during and after environmental catastrophes such as floods, earthquakes, and …

Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders

G Piir, S Sild, U Maran - Chemosphere, 2024 - Elsevier
An abnormal hormonal activity or exposure to endocrine-disrupting chemicals (EDCs) can
cause endocrine system malfunction. Among the many interactions EDCs can affect is the …

Advances in In Silico Toxicity Assessment of Nanomaterials and Emerging Contaminants

X Li, Y Huang, J Chen - Advances in Toxicology and Risk Assessment of …, 2022 - Springer
Risk assessment of engineered nanomaterials (ENMs) and other emerging substances is
essential to protect human health and the environment. Non-testing approaches in hazard …

Classification of estrogenic compounds by coupling high content analysis and machine learning algorithms

R Mukherjee, B Beykal, AT Szafran… - PLoS Computational …, 2020 - journals.plos.org
Environmental toxicants affect human health in various ways. Of the thousands of chemicals
present in the environment, those with adverse effects on the endocrine system are referred …

ED Profiler: Machine Learning Tool for Screening Potential Endocrine-Disrupting Chemicals

X Yang, H Liu, R Kusko, H Hong - Machine Learning and Deep Learning …, 2023 - Springer
Endocrine-disrupting chemicals (EDCs) could evoke untold endocrine-related detrimental
effects on humans and wildlife. To minimize the potential deleterious effects of EDCs on the …

Computational toxicology of pharmaceuticals

G Tugcu, H Sipahi, M Charehsaz, A Aydın… - … , QSAR and Machine …, 2023 - Elsevier
The information on the toxicity of pharmaceuticals on human health is of paramount
importance. While animal models are a conventional approach to toxicological assessment …

Mold2 Descriptors Facilitate Development of Machine Learning and Deep Learning Models for Predicting Toxicity of Chemicals

H Hong, J Liu, W Ge, S Sakkiah, W Guo… - Machine Learning and …, 2023 - Springer
Numerical description of chemical structures is necessary for development of machine
learning and deep learning models for predicting the potential toxicity of chemicals. Mold2 is …

Potential targets of endocrine-disrupting chemicals related to breast cancer identified by ToxCast and deep learning models

M Guan, G Qi, Z Li, X Hou - Toxicological & Environmental …, 2023 - Taylor & Francis
Of 47 endocrine-disrupting chemicals (EDCs) collected from literature and related to breast
cancer, not all were tested in a toxicity forecaster (ToxCast) program of the US …

Advances in Data-Driven Modeling and Global Optimization of Constrained Grey-Box Computational Systems

B Beykal - 2020 - search.proquest.com
The effort to mimic a chemical plant's operations or to design and operate a completely new
technology in silico is a highly studied research field under process systems engineering. As …