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The recent advances in the approach of artificial intelligence (AI) towards drug discovery
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 …
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 …
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 …
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 …
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
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 …
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 …
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 …
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 …
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 …
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)
Exposure to toxic chemicals threatens species and ecosystems. This study introduces a
novel approach using Graph Neural Networks (GNNs) to integrate aquatic toxicity data …
novel approach using Graph Neural Networks (GNNs) to integrate aquatic toxicity data …
[HTML][HTML] Seeking innovative concepts in development of antiviral drug combinations
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 …
limited, particularly for emerging viruses. These drugs can be classified based on their …