Machine learning approaches and databases for prediction of drug–target interaction: a survey paper

M Bagherian, E Sabeti, K Wang… - Briefings in …, 2021 - academic.oup.com
The task of predicting the interactions between drugs and targets plays a key role in the
process of drug discovery. There is a need to develop novel and efficient prediction …

Machine learning for drug-target interaction prediction

R Chen, X Liu, S Jin, J Lin, J Liu - Molecules, 2018 - mdpi.com
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. Considering that in …

SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines

T He, M Heidemeyer, F Ban, A Cherkasov… - Journal of …, 2017 - Springer
Computational prediction of the interaction between drugs and targets is a standing
challenge in the field of drug discovery. A number of rather accurate predictions were …

Neighborhood regularized logistic matrix factorization for drug-target interaction prediction

Y Liu, M Wu, C Miao, P Zhao, XL Li - PLoS computational biology, 2016 - journals.plos.org
In pharmaceutical sciences, a crucial step of the drug discovery process is the identification
of drug-target interactions. However, only a small portion of the drug-target interactions have …

Computational prediction of drug–target interactions using chemogenomic approaches: an empirical survey

A Ezzat, M Wu, XL Li, CK Kwoh - Briefings in bioinformatics, 2019 - academic.oup.com
Computational prediction of drug–target interactions (DTIs) has become an essential task in
the drug discovery process. It narrows down the search space for interactions by suggesting …

TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

ZJ Yao, J Dong, YJ Che, MF Zhu, M Wen… - Journal of computer …, 2016 - Springer
Drug–target interactions (DTIs) are central to current drug discovery processes and public
health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse …

Similarity-based machine learning methods for predicting drug–target interactions: a brief review

H Ding, I Takigawa, H Mamitsuka… - Briefings in …, 2014 - academic.oup.com
Computationally predicting drug–target interactions is useful to select possible drug (or
target) candidates for further biochemical verification. We focus on machine learning-based …

Systems pharmacology for investigation of the mechanisms of action of traditional Chinese medicine in drug discovery

W Zhang, Y Huai, Z Miao, A Qian… - Frontiers in pharmacology, 2019 - frontiersin.org
As a traditional medical intervention in Asia and a complementary and alternative medicine
in western countries, traditional Chinese medicine (TCM) has attracted global attention in …

Collaborative matrix factorization with multiple similarities for predicting drug-target interactions

X Zheng, H Ding, H Mamitsuka, S Zhu - Proceedings of the 19th ACM …, 2013 - dl.acm.org
We address the problem of predicting new drug-target interactions from three inputs: known
interactions, similarities over drugs and those over targets. This setting has been considered …

A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data

H Yu, J Chen, X Xu, Y Li, H Zhao, Y Fang, X Li, W Zhou… - PloS one, 2012 - journals.plos.org
In silico prediction of drug-target interactions from heterogeneous biological data can
advance our system-level search for drug molecules and therapeutic targets, which efforts …