Results 1 to 10 of about 739,650 (112)

Drug–Target Interaction Prediction via Dual-Interaction Fusion [PDF]

Molecules
Accurate prediction of drug–target interaction (DTI) is crucial for modern drug discovery. However, experimental assays are costly, and many existing computational models still face challenges in capturing multi-scale features, fusing cross-modal ...
Xingyang Li, Zepeng Li, Bo Wei, Yuni Zeng   +3 more
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How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling [PDF]

Advanced Science
Drug molecular interactions, including drug–drug interactions (DDIs) and drug–target interactions (DTIs), are critical for drug discovery and clinical safety, increasingly propelled by artificial intelligence (AI) technologies.
Xin Sun, Tong Wang
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In silico methods for drug-target interaction prediction [PDF]

Cell Reports: Methods
Summary: Drug-target interaction (DTI) prediction is a crucial component of drug discovery. In recent years, in silico approaches have attracted attention for DTI prediction, primarily because of their potential to mitigate the high costs, low success ...
Xiaoqing Ru, Lifeng Xu, Wu Han, Quan Zou
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Machine Learning for Drug-Target Interaction Prediction

Molecules, 2018
Identifying drug-target interactions will greatly narrow down the scope of search of candidate medications, and thus can serve as the vital first step in drug discovery.
Ruolan Chen, Xiangrong Liu, Shuting Jin, Jiawei Lin, Juan Liu   +4 more
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Leveraging multimodal learning for enhanced drug-target interaction prediction [PDF]

Frontiers in Pharmacology
IntroductionThe evolving landscape of artificial intelligence in drug discovery necessitates increasingly sophisticated approaches to predict drug-target interactions (DTIs) with high precision and generalizability. In alignment with the current surge of
Guo Chen, Kaixin Sun
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Evidential deep learning-based drug-target interaction prediction [PDF]

Nature Communications
Drug-target interaction (DTI) prediction is a crucial component of drug discovery. Recent deep learning methods show great potential in this field but also encounter substantial challenges.
Yanpeng Zhao, Yuting Xing, Yixin Zhang, Yifei Wang, Mengxuan Wan, Duoyun Yi, Chengkun Wu, Shangze Li, Huiyan Xu, Hongyang Zhang, Ziyi Liu, Guowei Zhou, Mengfan Li, Xuanze Wang, Zhengshan Chen, Ruijiang Li, Lianlian Wu, Dongsheng Zhao, Peng Zan, Song He, Xiaochen Bo   +20 more
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A generative framework for enhancing drug target interaction prediction in drug discovery [PDF]

Scientific Reports
In silico drug-target interaction (DTI) prediction plays a key role in accelerating drug discovery and understanding molecular mechanisms. Traditional methods often struggle with the complexity and scale of biochemical data, thus limiting prediction ...
Roshan R. Kotkondawar, Sanjay R. Sutar, Arvind W. Kiwelekar, Vinod J. Kadam, Shivajirao M. Jadhav   +4 more
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TAPB: an interventional debiasing framework for alleviating target prior bias in drug-target interaction prediction [PDF]

Nature Communications
Drug Target Interaction (DTI) prediction is vital for drug repurposing. Previous DTI studies on BioSNAP and BindingDB datasets often attribute biased predictions to “drug bias,” while our work reveals “target prior bias” as the predominant issue.
Gaoming Lin, Xin Zhang, Zhonghao Ren, Quan Zou, Prayag Tiwari, Changjun Zhou, Yijie Ding   +6 more
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A novel method for drug-target interaction prediction based on graph transformers model

BMC Bioinformatics, 2022
Background Drug-target interactions (DTIs) prediction becomes more and more important for accelerating drug research and drug repositioning. Drug-target interaction network is a typical model for DTIs prediction.
Hongmei Wang, Fang Guo, Mengyan Du, Guishen Wang, Chen Cao   +4 more
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Drug–target interaction prediction via multiple classification strategies

BMC Bioinformatics, 2022
Background Computational prediction of the interaction between drugs and protein targets is very important for the new drug discovery, as the experimental determination of drug-target interaction (DTI) is expensive and time-consuming.
Qing Ye, Xiaolong Zhang, Xiaoli Lin
doaj   +1 more source