Results 291 to 300 of about 2,729,950 (336)

Drug-Target Interaction/Affinity Prediction: Deep Learning Models and Advances Review

Comput. Biol. Medicine
Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns.
Ali Vefghi, Zahed Rahmati, Mohammad Akbari   +2 more
semanticscholar   +1 more source

An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction

Briefings Bioinform., 2021
Accurately identifying potential drug-target interactions (DTIs) is a key step in drug discovery. Although many related experimental studies have been carried out for identifying DTIs in the past few decades, the biological experiment-based DTI ...
Jiajie Peng, Yuxian Wang, Jiaojiao Guan, Jingyi Li, Ruijiang Han, Jianye Hao, Zhongyu Wei, Xuequn Shang   +7 more
semanticscholar   +1 more source

Revealing promiscuous drug–target interactions by chemical proteomics

Drug Discovery Today, 2009
The (poly-)pharmacological activities of a drug can only be understood if its interactions with cellular components are comprehensively characterized. Mass spectrometry-based chemical proteomics approaches have recently emerged as powerful tools for the characterization of drug-target interactions in samples from cell lines and tissues.
Bantscheff, M., Scholten, A., Heck, A.J.R.   +2 more
openaire   +3 more sources

The Computational Models of Drug-target Interaction Prediction

Protein & Peptide Letters, 2020
:The identification of Drug-Target Interactions (DTIs) is an important process in drug discovery and medical research. However, the tradition experimental methods for DTIs identification are still time consuming, extremely expensive and challenging. In the past ten years, various computational methods have been developed to identify potential DTIs.
Yijie, Ding, Jijun, Tang, Fei, Guo
openaire   +2 more sources

MGNDTI: A Drug-Target Interaction Prediction Framework Based on Multimodal Representation Learning and the Gating Mechanism

Journal of Chemical Information and Modeling
Drug-Target Interaction (DTI) prediction facilitates acceleration of drug discovery and promotes drug repositioning. Most existing deep learning-based DTI prediction methods can better extract discriminative features for drugs and proteins, but they ...
Lihong Peng, Xin Liu, Min Chen, Wen Liao, Jiale Mao, Liqian Zhou   +5 more
semanticscholar   +1 more source

MultiDTI: drug-target interaction prediction based on multi-modal representation learning to bridge the gap between new chemical entities and known heterogeneous network

Bioinform., 2021
MOTIVATION Predicting new drug-target interactions is an important step in new drug development, understanding of its side effects, and drug repositioning.
Deshan Zhou, Zhijian Xu, Wentao Li, Xiaolan Xie, Shaoliang Peng   +4 more
semanticscholar   +1 more source

Multitype Perception Method for Drug-Target Interaction Prediction

IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2023
With the growing popularity of artificial intelligence in drug discovery, many deep-learning technologies have been used to automatically predict unknown drug-target interactions (DTIs). A unique challenge in using these technologies to predict DTI is fully exploiting the knowledge diversity across different interaction types, such as drug-drug, drug ...
Huan Wang, Ruigang Liu, Baijing Wang, Yifan Hong, Ziwen Cui, Qiufen Ni   +5 more
openaire   +2 more sources

Graph neural network approaches for drug-target interactions

Current Opinion in Structural Biology, 2022
Developing new drugs remains prohibitively expensive, time-consuming, and often involves safety issues. Accurate prediction of drug-target interactions (DTIs) can guide the drug discovery process and thus facilitate drug development. Non-Euclidian data such as drug-like molecule structures, key pocket residue structures, and protein interaction ...
Zehong, Zhang, Lifan, Chen, Feisheng, Zhong, Dingyan, Wang, Jiaxin, Jiang, Sulin, Zhang, Hualiang, Jiang, Mingyue, Zheng, Xutong, Li   +8 more
openaire   +2 more sources

Comprehensive Review on Drug-target Interaction Prediction - Latest Developments and Overview.

Current Drug Discovery Technologies, 2023
Drug-target interactions (DTIs) are an important part of the drug development process. When the drug (a chemical molecule) binds to a target (proteins or nucleic acids), it modulates the biological behavior/function of the target, returning it to its ...
Ali K Abdul Raheem, B. N. Dhannoon
semanticscholar   +1 more source

Predicting Drug-Target Interactions Over Heterogeneous Information Network

IEEE Journal of Biomedical and Health Informatics, 2023
Identifying Drug-Target Interactions (DTIs) is a critical step in studying pathogenesis and drug development. Due to the fact that conventional experimental methods usually suffer from high costs and low efficiency, various computational methods have been proposed to detect potential DTIs by extracting features from the biological information of drugs ...
Xiaorui Su, Pengwei Hu, Haicheng Yi, Zhuhong You, Lun Hu   +4 more
openaire   +2 more sources