Deep learning in drug discovery: an integrative review and future challenges

H Askr, E Elgeldawi, H Aboul Ella… - Artificial Intelligence …, 2023 - Springer
Recently, using artificial intelligence (AI) in drug discovery has received much attention
since it significantly shortens the time and cost of developing new drugs. Deep learning (DL) …

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 …

Antibody design using deep learning: from sequence and structure design to affinity maturation

S Joubbi, A Micheli, P Milazzo, G Maccari… - Briefings in …, 2024 - academic.oup.com
Deep learning has achieved impressive results in various fields such as computer vision
and natural language processing, making it a powerful tool in biology. Its applications now …

Graph neural networks for molecules

Y Wang, Z Li, A Barati Farimani - Machine Learning in Molecular Sciences, 2023 - Springer
Graph neural networks (GNNs), which are capable of learning representations from
graphical data, are naturally suitable for modeling molecular systems. This review …

MECDDI: clarified drug–drug interaction mechanism facilitating rational drug use and potential drug–drug interaction prediction

W Hu, W Zhang, Y Zhou, Y Luo, X Sun… - Journal of Chemical …, 2023 - ACS Publications
Drug–drug interactions (DDIs) are a major concern in clinical practice and have been
recognized as one of the key threats to public health. To address such a critical threat, many …

Drug-drug interactions prediction based on deep learning and knowledge graph: A review

H Luo, W Yin, J Wang, G Zhang, W Liang, J Luo, C Yan - Iscience, 2024 - cell.com
Drug-drug interactions can produce unpredictable pharmacological effects and lead to
adverse events that have the potential to cause irreversible organ damage or death …

Recent development of machine learning models for the prediction of drug-drug interactions

E Hong, J Jeon, HU Kim - Korean Journal of Chemical Engineering, 2023 - Springer
Polypharmacy, the co-administration of multiple drugs, has become an area of concern as
the elderly population grows and an unexpected infection, such as COVID-19 pandemic …

Attention-based cross domain graph neural network for prediction of drug–drug interactions

H Yu, KK Li, WM Dong, SH Song, C Gao… - Briefings in …, 2023 - academic.oup.com
Drug–drug interactions (DDI) may lead to adverse reactions in human body and accurate
prediction of DDI can mitigate the medical risk. Currently, most of computer-aided DDI …

GGI-DDI: Identification for key molecular substructures by granule learning to interpret predicted drug–drug interactions

H Yu, J Wang, SY Zhao, O Silver, Z Liu, JT Yao… - Expert Systems with …, 2024 - Elsevier
Deep learning-based approaches have achieved promising performance in predicting drug–
drug interactions (DDIs). Nevertheless, a significant drawback of these approaches is their …

REST: Drug-Drug Interaction Prediction via Reinforced Student-Teacher Curriculum Learning

X Li, Z Qiu, X Zhao, Y Zhang, C Xing, X Wu - Proceedings of the 32nd …, 2023 - dl.acm.org
Accurate prediction of drug-drug interaction (DDI) is crucial to achieving effective decision-
making in medical treatment for both doctors and patients. Recently, many deep learning …