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 …

Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases

AS Rifaioglu, H Atas, MJ Martin… - Briefings in …, 2019 - academic.oup.com
The identification of interactions between drugs/compounds and their targets is crucial for
the development of new drugs. In vitro screening experiments (ie bioassays) are frequently …

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

A Daina, O Michielin, V Zoete - Nucleic acids research, 2019 - academic.oup.com
SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most
probable protein targets of small molecules. Predictions are based on the similarity principle …

Compound–protein interaction prediction with end-to-end learning of neural networks for graphs and sequences

M Tsubaki, K Tomii, J Sese - Bioinformatics, 2019 - academic.oup.com
Motivation In bioinformatics, machine learning-based methods that predict the compound–
protein interactions (CPIs) play an important role in the virtual screening for drug discovery …

Towards artificial intelligence-enabled extracellular vesicle precision drug delivery

ZF Greenberg, KS Graim, M He - Advanced Drug Delivery Reviews, 2023 - Elsevier
Abstract Extracellular Vesicles (EVs), particularly exosomes, recently exploded into
nanomedicine as an emerging drug delivery approach due to their superior biocompatibility …

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 …

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

X Chen, CC Yan, X Zhang, X Zhang, F Dai… - Briefings in …, 2016 - academic.oup.com
Identification of drug–target interactions is an important process in drug discovery. Although
high-throughput screening and other biological assays are becoming available …

Machine learning for drug-target interaction prediction

R Chen, X Liu, S **, 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 …

[PDF][PDF] Interpretable drug target prediction using deep neural representation.

KY Gao, A Fokoue, H Luo, A Iyengar, S Dey, P Zhang - IJCAI, 2018 - ijcai.org
The identification of drug-target interactions (DTIs) is a key task in drug discovery, where
drugs are chemical compounds and targets are proteins. Traditional DTI prediction methods …

A review of network-based approaches to drug repositioning

M Lotfi Shahreza, N Ghadiri, SR Mousavi… - Briefings in …, 2018 - academic.oup.com
Experimental drug development is time-consuming, expensive and limited to a relatively
small number of targets. However, recent studies show that repositioning of existing drugs …