Results 11 to 20 of about 400,933 (233)

EMPDTA: An End-to-End Multimodal Representation Learning Framework with Pocket Online Detection for Drug–Target Affinity Prediction [PDF]

Molecules
Accurately predicting drug–target interactions is a critical yet challenging task in drug discovery. Traditionally, pocket detection and drug–target affinity prediction have been treated as separate aspects of drug–target interaction, with few methods ...
Dingkai Huang, Jiang Xie
doaj   +3 more sources

MTAF–DTA: multi-type attention fusion network for drug–target affinity prediction [PDF]

BMC Bioinformatics
Background The development of drug–target binding affinity (DTA) prediction tasks significantly drives the drug discovery process forward. Leveraging the rapid advancement of artificial intelligence, DTA prediction tasks have undergone a transformative ...
Jinghong Sun, Han Wang, Jia Mi, Jing Wan, Jingyang Gao   +4 more
doaj   +3 more sources

DeepMHADTA: Prediction of Drug-Target Binding Affinity Using Multi-Head Self-Attention and Convolutional Neural Network

Current Issues in Molecular Biology, 2022
Drug-target interactions provide insight into the drug-side effects and drug repositioning. However, wet-lab biochemical experiments are time-consuming and labor-intensive, and are insufficient to meet the pressing demand for drug research and ...
Lei Deng, Yunyun Zeng, Hui Liu, Zixuan Liu, Xuejun Liu   +4 more
doaj   +2 more sources

BiComp-DTA: Drug-target binding affinity prediction through complementary biological-related and compression-based featurization approach.

PLoS Computational Biology, 2023
Drug-target binding affinity prediction plays a key role in the early stage of drug discovery. Numerous experimental and data-driven approaches have been developed for predicting drug-target binding affinity.
Mahmood Kalemati, Mojtaba Zamani Emani, Somayyeh Koohi   +2 more
doaj   +2 more sources

Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learning

BMC Bioinformatics
Background Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target.
Xin Zeng, Guang-Peng Su, Shu-Juan Li, Shuang-Qing Lv, Meng-Liang Wen, Yi Li   +5 more
doaj   +2 more sources

Affinity2Vec: drug-target binding affinity prediction through representation learning, graph mining, and machine learning

Scientific Reports, 2022
Drug-target interaction (DTI) prediction plays a crucial role in drug repositioning and virtual drug screening. Most DTI prediction methods cast the problem as a binary classification task to predict if interactions exist or as a regression task to ...
Maha A. Thafar, Mona Alshahrani, Somayah Albaradei, Takashi Gojobori, Magbubah Essack, Xin Gao   +5 more
doaj   +2 more sources

Drug-target binding affinity prediction based on power graph and word2vec

BMC Medical Genomics
Background Drug and protein targets affect the physiological functions and metabolic effects of the body through bonding reactions, and accurate prediction of drug-protein target interactions is crucial for drug development.
Jing Hu, Shuo Hu, Minghao Xia, Kangxing Zheng, Xiaolong Zhang   +4 more
doaj   +2 more sources

GraphATT-DTA: Attention-Based Novel Representation of Interaction to Predict Drug-Target Binding Affinity [PDF]

Biomedicines, 2022
Drug-target binding affinity (DTA) prediction is an essential step in drug discovery. Drug-target protein binding occurs at specific regions between the protein and drug, rather than the entire protein and drug.
Haelee Bae, Hojung Nam
doaj   +2 more sources

FingerDTA: A Fingerprint-Embedding Framework for Drug-Target Binding Affinity Prediction [PDF]

Big Data Mining and Analytics, 2023
Many efforts have been exerted toward screening potential drugs for targets, and conducting wet experiments remains a laborious and time-consuming approach.
Xuekai Zhu, Juan Liu, Jian Zhang, Zhihui Yang, Feng Yang, Xiaolei Zhang   +5 more
doaj   +2 more sources

Enhanced information cross-attention fusion for drug–target binding affinity prediction [PDF]

PeerJ Computer Science
Background The rapid development of artificial intelligence has permeated many fields, with its application in drug discovery becoming increasingly mature.
Ailu Fei, Yihan Wang, Tiantian Ruan, Yekang Zhang, Min Yao, Li Wang   +5 more
doaj   +3 more sources