Machine learning approaches and databases for prediction of drug–target interaction: a survey paper

M Bagherian, E Sabeti, K Wang… - Briefings in …, 2021 - academic.oup.com
The task of predicting the interactions between drugs and targets plays a key role in the
process of drug discovery. There is a need to develop novel and efficient prediction …

iGRLDTI: an improved graph representation learning method for predicting drug–target interactions over heterogeneous biological information network

BW Zhao, XR Su, PW Hu, YA Huang, ZH You… - …, 2023 - academic.oup.com
Motivation The task of predicting drug–target interactions (DTIs) plays a significant role in
facilitating the development of novel drug discovery. Compared with laboratory-based …

Identification of drug-side effect association via multiple information integration with centered kernel alignment

Y Ding, J Tang, F Guo - Neurocomputing, 2019 - Elsevier
In medicine research, drug discovery aims to develop a drug to patients who will benefit from
it and try to avoid some side effects. However, the tradition experiment is time consuming …

DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features

Y Chu, AC Kaushik, X Wang, W Wang… - Briefings in …, 2021 - academic.oup.com
Drug–target interactions (DTIs) play a crucial role in target-based drug discovery and
development. Computational prediction of DTIs can effectively complement experimental …

TripletMultiDTI: multimodal representation learning in drug-target interaction prediction with triplet loss function

A Dehghan, P Razzaghi, K Abbasi… - Expert Systems with …, 2023 - Elsevier
In drug discovery, drug-target interaction (DTI) plays a crucial role. Identifying DTI in a wet-
lab experiment is time-consuming, labor-intensive, and costly. Using reliable computational …

ZeroBind: a protein-specific zero-shot predictor with subgraph matching for drug-target interactions

Y Wang, Y **a, J Yan, Y Yuan, HB Shen… - Nature …, 2023 - nature.com
Existing drug-target interaction (DTI) prediction methods generally fail to generalize well to
novel (unseen) proteins and drugs. In this study, we propose a protein-specific meta …

DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method

Y Chu, X Shan, T Chen, M Jiang, Y Wang… - Briefings in …, 2021 - academic.oup.com
Identifying drug-target interactions (DTIs) is an important step for drug discovery and drug
repositioning. To reduce the experimental cost, a large number of computational …

Predicting drug-target interactions via dual-stream graph neural network

Y Li, W Liang, L Peng, D Zhang… - … /ACM Transactions on …, 2022 - ieeexplore.ieee.org
Drug target interaction prediction is a crucial stage in drug discovery. However, brute-force
search over a compound database is financially infeasible. We have witnessed the …

Defusedti: Interpretable drug target interaction prediction model with dual-branch encoder and multiview fusion

BM Feng, YY Zhang, HY Zheng, JL Wang… - Future Generation …, 2024 - Elsevier
Predicting the interaction between drugs and targets is a crucial step in drug development,
and computer-based deep learning approaches have the potential to significantly reduce …