[HTML][HTML] Drug discovery with explainable artificial intelligence
Deep learning bears promise for drug discovery, including advanced image analysis,
prediction of molecular structure and function, and automated generation of innovative …
prediction of molecular structure and function, and automated generation of innovative …
[HTML][HTML] Medical deep learning—A systematic meta-review
Deep learning has remarkably impacted several different scientific disciplines over the last
few years. For example, in image processing and analysis, deep learning algorithms were …
few years. For example, in image processing and analysis, deep learning algorithms were …
MS2Tox machine learning tool for predicting the ecotoxicity of unidentified chemicals in water by nontarget LC-HRMS
To achieve water quality objectives of the zero pollution action plan in Europe, rapid
methods are needed to identify the presence of toxic substances in complex water samples …
methods are needed to identify the presence of toxic substances in complex water samples …
A review on the recent applications of deep learning in predictive drug toxicological studies
Drug toxicity prediction is an important step in ensuring patient safety during drug design
studies. While traditional preclinical studies have historically relied on animal models to …
studies. While traditional preclinical studies have historically relied on animal models to …
Machine learning in predictive toxicology: recent applications and future directions for classification models
MWH Wang, JM Goodman… - Chemical research in …, 2020 - ACS Publications
In recent times, machine learning has become increasingly prominent in predictive
toxicology as it has shifted from in vivo studies toward in silico studies. Currently, in vitro …
toxicology as it has shifted from in vivo studies toward in silico studies. Currently, in vitro …
Artificial intelligence in food science and nutrition: a narrative review
T Miyazawa, Y Hiratsuka, M Toda… - Nutrition …, 2022 - academic.oup.com
In the late 2010s, artificial intelligence (AI) technologies became complementary to the
research areas of food science and nutrition. This review aims to summarize these …
research areas of food science and nutrition. This review aims to summarize these …
[HTML][HTML] Artificial intelligence (AI)—it's the end of the tox as we know it (and I feel fine)
N Kleinstreuer, T Hartung - Archives of Toxicology, 2024 - Springer
The rapid progress of AI impacts diverse scientific disciplines, including toxicology, and has
the potential to transform chemical safety evaluation. Toxicology has evolved from an …
the potential to transform chemical safety evaluation. Toxicology has evolved from an …
Deep learning-based conformal prediction of toxicity
J Zhang, U Norinder, F Svensson - Journal of chemical information …, 2021 - ACS Publications
Predictive modeling for toxicity can help reduce risks in a range of applications and
potentially serve as the basis for regulatory decisions. However, the utility of these …
potentially serve as the basis for regulatory decisions. However, the utility of these …
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 …
[HTML][HTML] Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
Explainable machine learning for molecular toxicity prediction is a promising approach for
efficient drug development and chemical safety. A predictive ML model of toxicity can reduce …
efficient drug development and chemical safety. A predictive ML model of toxicity can reduce …