scholarly journals Drug–target interaction prediction: databases, web servers and computational models

2015 ◽  
Vol 17 (4) ◽  
pp. 696-712 ◽  
Author(s):  
Xing Chen ◽  
Chenggang Clarence Yan ◽  
Xiaotian Zhang ◽  
Xu Zhang ◽  
Feng Dai ◽  
...  
2020 ◽  
Vol 27 (5) ◽  
pp. 348-358 ◽  
Author(s):  
Yijie Ding ◽  
Jijun Tang ◽  
Fei Guo

: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. In this paper, the identification methods of DTIs are summarized. What's more, several state-of-the-art computational methods are mainly introduced, containing network-based method and machine learning-based method. In particular, for machine learning-based methods, including the supervised and semisupervised models, have essential differences in the approach of negative samples. Although these effective computational models in identification of DTIs have achieved significant improvements, network-based and machine learning-based methods have their disadvantages, respectively. These computational methods are evaluated on four benchmark data sets via values of Area Under the Precision Recall curve (AUPR).


Author(s):  
Ali Ezzat ◽  
Peilin Zhao ◽  
Min Wu ◽  
Xiao-Li Li ◽  
Chee-Keong Kwoh

2020 ◽  
Author(s):  
Ming Chen ◽  
Xiuze Zhou

Abstract Background: Because it is so laborious and expensive to experimentally identify Drug-Target Interactions (DTIs), only a few DTIs have been verified. Computational methods are useful for identifying DTIs in biological studies of drug discovery and development. Results: For drug-target interaction prediction, we propose a novel neural network architecture, DAEi, extended from Denoising AutoEncoder (DAE). We assume that a set of verified DTIs is a corrupted version of the full interaction set. We use DAEi to learn latent features from corrupted DTIs to reconstruct the full input. Also, to better predict DTIs, we add some similarities to DAEi and adopt a new nonlinear method for calculation. Similarity information is very effective at improving the prediction of DTIs. Conclusion: Results of the extensive experiments we conducted on four real data sets show that our proposed methods are superior to other baseline approaches.Availability: All codes in this paper are open-sourced, and our projects are available at: https://github.com/XiuzeZhou/DAEi.


2016 ◽  
Vol 32 (12) ◽  
pp. i18-i27 ◽  
Author(s):  
Qingjun Yuan ◽  
Junning Gao ◽  
Dongliang Wu ◽  
Shihua Zhang ◽  
Hiroshi Mamitsuka ◽  
...  

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