Attention is all you need: utilizing attention in AI-enabled drug discovery

Y Zhang, C Liu, M Liu, T Liu, H Lin… - Briefings in …, 2024 - academic.oup.com
Recently, attention mechanism and derived models have gained significant traction in drug
development due to their outstanding performance and interpretability in handling complex …

Comprehensive evaluation of deep and graph learning on drug–drug interactions prediction

X Lin, L Dai, Y Zhou, ZG Yu, W Zhang… - Briefings in …, 2023 - academic.oup.com
Recent advances and achievements of artificial intelligence (AI) as well as deep and graph
learning models have established their usefulness in biomedical applications, especially in …

Application of Artificial Intelligence in Drug–Drug Interactions Prediction: A Review

Y Zhang, Z Deng, X Xu, Y Feng… - Journal of chemical …, 2023 - ACS Publications
Drug–drug interactions (DDI) are a critical aspect of drug research that can have adverse
effects on patients and can lead to serious consequences. Predicting these events …

Application of machine learning in drug side effect prediction: databases, methods, and challenges

H Zhao, J Zhong, X Liang, C **e, S Wang - Frontiers of Computer Science, 2025 - Springer
Drug side effects have become paramount concerns in drug safety research, ranking as the
fourth leading cause of mortality following cardiovascular diseases, cancer, and infectious …

DrugDAGT: a dual-attention graph transformer with contrastive learning improves drug-drug interaction prediction

Y Chen, J Wang, Q Zou, M Niu, Y Ding, J Song… - BMC biology, 2024 - Springer
Abstract Background Drug-drug interactions (DDIs) can result in unexpected
pharmacological outcomes, including adverse drug events, which are crucial for drug …

Customized subgraph selection and encoding for drug-drug interaction prediction

H Du, Q Yao, J Zhang, Y Liu… - Advances in Neural …, 2025 - proceedings.neurips.cc
Subgraph-based methods have proven to be effective and interpretable in predicting drug-
drug interactions (DDIs), which are essential for medical practice and drug development …

Accurate and interpretable drug-drug interaction prediction enabled by knowledge subgraph learning

Y Wang, Z Yang, Q Yao - Communications Medicine, 2024 - nature.com
Background Discovering potential drug-drug interactions (DDIs) is a long-standing
challenge in clinical treatments and drug developments. Recently, deep learning techniques …

DBGRU-SE: predicting drug–drug interactions based on double BiGRU and squeeze-and-excitation attention mechanism

M Zhang, H Gao, X Liao, B Ning, H Gu… - Briefings in …, 2023 - academic.oup.com
The prediction of drug–drug interactions (DDIs) is essential for the development and
repositioning of new drugs. Meanwhile, they play a vital role in the fields of …

Companion animal disease diagnostics based on literal-aware medical knowledge graph representation learning

TS Nguyen, S Lee, J Lee, LV Nguyen, OJ Lee - IEEE Access, 2023 - ieeexplore.ieee.org
Knowledge graph (KG) embedding has been used to benefit the diagnosis of animal
diseases by analyzing electronic medical records (EMRs), such as notes and veterinary …