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Machine learning approaches and databases for prediction of drug–target interaction: a survey paper
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 …
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
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 …
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 …
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
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 …
protein interactions (CPIs) play an important role in the virtual screening for drug discovery …
Towards artificial intelligence-enabled extracellular vesicle precision drug delivery
Abstract Extracellular Vesicles (EVs), particularly exosomes, recently exploded into
nanomedicine as an emerging drug delivery approach due to their superior biocompatibility …
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
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 …
challenge in the field of drug discovery. A number of rather accurate predictions were …
Drug–target interaction prediction: databases, web servers and computational models
Identification of drug–target interactions is an important process in drug discovery. Although
high-throughput screening and other biological assays are becoming available …
high-throughput screening and other biological assays are becoming available …
Machine learning for drug-target interaction prediction
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 …
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.
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 …
drugs are chemical compounds and targets are proteins. Traditional DTI prediction methods …
A review of network-based approaches to drug repositioning
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 …
small number of targets. However, recent studies show that repositioning of existing drugs …