[HTML][HTML] The role of AI in drug discovery: challenges, opportunities, and strategies

A Blanco-Gonzalez, A Cabezon, A Seco-Gonzalez… - Pharmaceuticals, 2023 - mdpi.com
Artificial intelligence (AI) has the potential to revolutionize the drug discovery process,
offering improved efficiency, accuracy, and speed. However, the successful application of AI …

Artificial intelligence in drug toxicity prediction: recent advances, challenges, and future perspectives

TTV Tran, A Surya Wibowo, H Tayara… - Journal of chemical …, 2023 - ACS Publications
Toxicity prediction is a critical step in the drug discovery process that helps identify and
prioritize compounds with the greatest potential for safe and effective use in humans, while …

ToxinPred2: an improved method for predicting toxicity of proteins

N Sharma, LD Naorem, S Jain… - Briefings in …, 2022 - academic.oup.com
Proteins/peptides have shown to be promising therapeutic agents for a variety of diseases.
However, toxicity is one of the obstacles in protein/peptide-based therapy. The current study …

[HTML][HTML] Artificial intelligence and machine learning disciplines with the potential to improve the nanotoxicology and nanomedicine fields: a comprehensive review

AV Singh, M Varma, P Laux, S Choudhary… - Archives of …, 2023 - Springer
The use of nanomaterials in medicine depends largely on nanotoxicological evaluation in
order to ensure safe application on living organisms. Artificial intelligence (AI) and machine …

[HTML][HTML] Alternative plasticizers as emerging global environmental and health threat: another regrettable substitution?

A Qadeer, KL Kirsten, Z Ajmal, X Jiang… - … science & technology, 2022 - ACS Publications
Plasticizers are synthetic chemicals that are commonly used in polyvinyl chloride (PVC)
based products, food packaging, children's toys, medical devices, and adhesives. There are …

Artificial intelligence-based toxicity prediction of environmental chemicals: future directions for chemical management applications

J Jeong, J Choi - Environmental Science & Technology, 2022 - ACS Publications
Recently, research on the development of artificial intelligence (AI)-based computational
toxicology models that predict toxicity without the use of animal testing has emerged …

[HTML][HTML] Molecular mechanism of the anti-inflammatory effects of plant essential oils: A systematic review

Q Zhao, L Zhu, S Wang, Y Gao, F Jin - Journal of ethnopharmacology, 2023 - Elsevier
Ethnopharmacological relevance Plant essential oils (PEOs) extracted from aromatic
compounds of the plant contain complex mixtures of volatile and lipophilic bioactive …

[HTML][HTML] Probabilistic risk assessment–the keystone for the future of toxicology

A Maertens, E Golden, TH Luechtefeld, S Hoffmann… - Altex, 2022 - ncbi.nlm.nih.gov
Safety sciences must cope with uncertainty of models and results as well as information
gaps. Acknowledging this uncertainty necessitates embracing probabilities and accepting …

Making food systems more resilient to food safety risks by including artificial intelligence, big data, and internet of things into food safety early warning and emerging …

W Mu, GA Kleter, Y Bouzembrak… - … Reviews in Food …, 2024 - Wiley Online Library
To enhance the resilience of food systems to food safety risks, it is vitally important for
national authorities and international organizations to be able to identify emerging food …

[HTML][HTML] Perspective on quantitative structure–toxicity relationship (QSTR) models to predict hepatic biotransformation of xenobiotics

M Rai, N Paudel, M Sakhrie, D Gemmati, IA Khan… - Livers, 2023 - mdpi.com
Biotransformation refers to the metabolic conversion of endogenous and xenobiotic
chemicals into more hydrophilic substances. Xenobiotic biotransformation is accomplished …