Results 11 to 20 of about 4,932,082 (261)

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   +4 more sources

A meta learning and task adaptive approach for drug target affinity prediction [PDF]

Nature Communications
Accurate and robust prediction of drug-target affinity (DTA) plays a critical role in drug discovery. While deep learning has advanced DTA prediction, existing methods struggle with limited training data and poor generalization. In this study, we propose
Mengxuan Wan, Yanpeng Zhao, Yixin Zhang, Huiyan Xu, Duoyun Yi, Peng Zan, Song He, Xiaochen Bo   +7 more
doaj   +4 more sources

Explainable deep drug–target representations for binding affinity prediction

BMC Bioinformatics, 2022
Background Several computational advances have been achieved in the drug discovery field, promoting the identification of novel drug–target interactions and new leads. However, most of these methodologies have been overlooking the importance of providing
Nelson R. C. Monteiro, Carlos J. V. Simões, Henrique V. Ávila, Maryam Abbasi, José L. Oliveira, Joel P. Arrais   +5 more
doaj   +3 more sources

GANsDTA: Predicting Drug-Target Binding Affinity Using GANs

Frontiers in Genetics, 2020
The computational prediction of interactions between drugs and targets is a standing challenge in drug discovery. State-of-the-art methods for drug-target interaction prediction are primarily based on supervised machine learning with known label ...
Lingling Zhao, Junjie Wang, Long Pang, Yang Liu, Jun Zhang   +4 more
doaj   +3 more sources

Studies and analysis of drug-target interactions by affinity chromatography and related techniques: A review

Journal of Pharmaceutical Analysis
The characterization of drug-target interactions is a key component of drug discovery, testing, and development. Affinity chromatography is one approach that can be used for this type of analysis.
David S. Hage, Sadia Sharmeen, B.K. Sajeeb, Harshana Olupathage, Md Masudur Rahman, Isaac Kyei, Samiul Alim, Nigar Sultana Pinky   +7 more
doaj   +4 more sources

Prediction of Drug-Target Affinity Using Attention Neural Network. [PDF]

Int J Mol Sci
Studying drug-target interactions (DTIs) is the foundational and crucial phase in drug discovery. Biochemical experiments, while being the most reliable method for determining drug-target affinity (DTA), are time-consuming and costly, making it ...
Tang X, Lei X, Zhang Y.
europepmc   +4 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

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

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

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

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   +3 more sources