Results 41 to 50 of about 345,726 (229)

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   +1 more source

Target identification of small molecules: an overview of the current applications in drug discovery

BMC Biotechnology, 2023
Target identification is an essential part of the drug discovery and development process, and its efficacy plays a crucial role in the success of any given therapy.
Yasser Tabana, Dinesh Babu, Richard Fahlman, Arno G. Siraki, Khaled Barakat   +4 more
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A Multibranch Neural Network for Drug-Target Affinity Prediction Using Similarity Information [PDF]

ACS Omega
Jing Chen, Xiaolin Yang, Haoyu Wu
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Prediction of drug–target binding affinity using similarity-based convolutional neural network

Scientific Reports, 2021
Identifying novel drug–target interactions (DTIs) plays an important role in drug discovery. Most of the computational methods developed for predicting DTIs use binary classification, whose goal is to determine whether or not a drug–target (DT) pair ...
Jooyong Shim, Zhen-Yu Hong, Insuk Sohn, Changha Hwang   +3 more
doaj   +1 more source

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   +2 more sources

DGDTA: dynamic graph attention network for predicting drug–target binding affinity

BMC Bioinformatics, 2023
Background Obtaining accurate drug–target binding affinity (DTA) information is significant for drug discovery and drug repositioning. Although some methods have been proposed for predicting DTA, the features of proteins and drugs still need to be ...
Haixia Zhai, Hongli Hou, Junwei Luo, Xiaoyan Liu, Zhengjiang Wu, Junfeng Wang   +5 more
doaj   +1 more source

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
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Discovering the Biological Target of 5-epi-Sinuleptolide Using a Combination of Proteomic Approaches

Marine Drugs, 2017
Sinuleptolide and its congeners are diterpenes with a norcembranoid skeleton isolated from the soft coral genus Sinularia. These marine metabolites are endowed with relevant biological activities, mainly associated with cancer development.
Elva Morretta, Roberta Esposito, Carmen Festa, Raffaele Riccio, Agostino Casapullo, Maria Chiara Monti   +5 more
doaj   +1 more source

ELECTRA-DTA: a new compound-protein binding affinity prediction model based on the contextualized sequence encoding

Journal of Cheminformatics, 2022
Motivation Drug-target binding affinity (DTA) reflects the strength of the drug-target interaction; therefore, predicting the DTA can considerably benefit drug discovery by narrowing the search space and pruning drug-target (DT) pairs with low binding ...
Junjie Wang, NaiFeng Wen, Chunyu Wang, Lingling Zhao, Liang Cheng   +4 more
doaj   +1 more source

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   +1 more source