Neural multi-task learning in drug design

S Allenspach, JA Hiss, G Schneider - Nature Machine Intelligence, 2024 - nature.com
Multi-task learning (MTL) is a machine learning paradigm that aims to enhance the
generalization of predictive models by leveraging shared information across multiple tasks …

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 …

[PDF][PDF] KGNN: Knowledge graph neural network for drug-drug interaction prediction.

X Lin, Z Quan, ZJ Wang, T Ma, X Zeng - IJCAI, 2020 - xuanlin1991.github.io
Drug-drug interaction (DDI) prediction is a challenging problem in pharmacology and
clinical application, and effectively identifying potential D-DIs during clinical trials is critical …

DSN-DDI: an accurate and generalized framework for drug–drug interaction prediction by dual-view representation learning

Z Li, S Zhu, B Shao, X Zeng, T Wang… - Briefings in …, 2023 - academic.oup.com
Drug–drug interaction (DDI) prediction identifies interactions of drug combinations in which
the adverse side effects caused by the physicochemical incompatibility have attracted much …

Drug similarity integration through attentive multi-view graph auto-encoders

T Ma, C **ao, J Zhou, F Wang - arxiv preprint arxiv:1804.10850, 2018 - arxiv.org
Drug similarity has been studied to support downstream clinical tasks such as inferring novel
properties of drugs (eg side effects, indications, interactions) from known properties. The …

A comprehensive review of computational methods for drug-drug interaction detection

Y Qiu, Y Zhang, Y Deng, S Liu… - IEEE/ACM transactions …, 2021 - ieeexplore.ieee.org
The detection of drug-drug interactions (DDIs) is a crucial task for drug safety surveillance,
which provides effective and safe co-prescriptions of multiple drugs. Since laboratory …

Caster: Predicting drug interactions with chemical substructure representation

K Huang, C **ao, T Hoang, L Glass… - Proceedings of the AAAI …, 2020 - ojs.aaai.org
Adverse drug-drug interactions (DDIs) remain a leading cause of morbidity and mortality.
Identifying potential DDIs during the drug design process is critical for patients and society …

Multi-relational contrastive learning graph neural network for drug-drug interaction event prediction

Z **ong, S Liu, F Huang, Z Wang, X Liu… - Proceedings of the …, 2023 - ojs.aaai.org
Drug-drug interactions (DDIs) could lead to various unexpected adverse consequences, so-
called DDI events. Predicting DDI events can reduce the potential risk of combinatorial …

SFLLN: a sparse feature learning ensemble method with linear neighborhood regularization for predicting drug–drug interactions

W Zhang, K **g, F Huang, Y Chen, B Li, J Li… - Information Sciences, 2019 - Elsevier
Drug–drug interactions are one of the major concerns of drug discovery, and the accurate
prediction of drug–drug interactions is important for drug safety surveillance. However, most …

LaGAT: link-aware graph attention network for drug–drug interaction prediction

Y Hong, P Luo, S **, X Liu - Bioinformatics, 2022 - academic.oup.com
Motivation Drug–drug interaction (DDI) prediction is a challenging problem in pharmacology
and clinical applications. With the increasing availability of large biomedical databases …