The recent advances in the approach of artificial intelligence (AI) towards drug discovery

MK Khan, M Raza, M Shahbaz, I Hussain… - Frontiers in …, 2024 - frontiersin.org
Artificial intelligence (AI) has recently emerged as a unique developmental influence that is
playing an important role in the development of medicine. The AI medium is showing the …

Predicting blood–brain barrier permeability of molecules with a large language model and machine learning

ETC Huang, JS Yang, KYK Liao, WCW Tseng… - Scientific Reports, 2024 - nature.com
Predicting the blood–brain barrier (BBB) permeability of small-molecule compounds using a
novel artificial intelligence platform is necessary for drug discovery. Machine learning and a …

Digital technology applications in the management of adverse drug reactions: bibliometric analysis

O Litvinova, AWK Yeung, FP Hammerle, ME Mickael… - Pharmaceuticals, 2024 - mdpi.com
Adverse drug reactions continue to be not only one of the most urgent problems in clinical
medicine, but also a social problem. The aim of this study was a bibliometric analysis of the …

[HTML][HTML] Recent Advances in Omics, Computational Models, and Advanced Screening Methods for Drug Safety and Efficacy

A Son, J Park, W Kim, Y Yoon, S Lee, J Ji, H Kim - Toxics, 2024 - pmc.ncbi.nlm.nih.gov
It is imperative to comprehend the mechanisms that underlie drug toxicity in order to
enhance the efficacy and safety of novel therapeutic agents. The capacity to identify …

Semisupervised learning to boost hERG, Nav1. 5, and Cav1. 2 cardiac ion channel toxicity prediction by mining a large unlabeled small molecule data set

I Arab, K Laukens, W Bittremieux - Journal of chemical information …, 2024 - ACS Publications
Predicting drug toxicity is a critical aspect of ensuring patient safety during the drug design
process. Although conventional machine learning techniques have shown some success in …

Ensemble multiclassification model for predicting developmental toxicity in zebrafish

G Liu, X Li, Y Guo, L Zhang, H Liu, H Ai - Aquatic Toxicology, 2024 - Elsevier
In recent years, with the rapid development of society, organic compounds have been
released into aquatic environments in various forms, posing a significant threat to the …

BERT-based language model for accurate drug adverse event extraction from social media: implementation, evaluation, and contributions to pharmacovigilance …

F Dong, W Guo, J Liu, TA Patterson… - Frontiers in Public …, 2024 - frontiersin.org
Introduction Social media platforms serve as a valuable resource for users to share health-
related information, aiding in the monitoring of adverse events linked to medications and …

Using machine learning models to predict the dose–effect curve of municipal wastewater for zebrafish embryo toxicity

M Zhu, Y Fang, M Jia, L Chen, L Zhang, B Wu - Journal of Hazardous …, 2025 - Elsevier
Municipal wastewater substantially contributes to aquatic ecological risks. Assessing the
toxicity of municipal wastewater through dose–effect curves is challenging owing to the time …

[HTML][HTML] Graph neural networks-enhanced relation prediction for ecotoxicology (GRAPE)

G Anand, P Koniusz, A Kumar, LA Golding… - Journal of Hazardous …, 2024 - Elsevier
Exposure to toxic chemicals threatens species and ecosystems. This study introduces a
novel approach using Graph Neural Networks (GNNs) to integrate aquatic toxicity data …

[HTML][HTML] Seeking innovative concepts in development of antiviral drug combinations

DE Kainov, E Ravlo, A Ianevski - Antiviral Research, 2025 - Elsevier
Antiviral drugs are crucial for managing viral infections, but current treatment options remain
limited, particularly for emerging viruses. These drugs can be classified based on their …