AIMC Topic: Pharmaceutical Preparations

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Modelling Drug-Target Binding Affinity using a BERT based Graph Neural network.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Understanding the interactions between novel drugs and target proteins is fundamentally important in disease research as discovering drug-protein interactions can be an exceptionally time-consuming and expensive process. Alternatively, this process c...

Deep learning analysis of electrocardiogram for risk prediction of drug-induced arrhythmias and diagnosis of long QT syndrome.

European heart journal
AIMS: Congenital long-QT syndromes (cLQTS) or drug-induced long-QT syndromes (diLQTS) can cause torsade de pointes (TdP), a life-threatening ventricular arrhythmia. The current strategy for the identification of drugs at the high risk of TdP relies o...

Integrating multi-scale neighbouring topologies and cross-modal similarities for drug-protein interaction prediction.

Briefings in bioinformatics
MOTIVATION: Identifying the proteins that interact with drugs can reduce the cost and time of drug development. Existing computerized methods focus on integrating drug-related and protein-related data from multiple sources to predict candidate drug-t...

Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction.

Briefings in bioinformatics
Molecular descriptors are essential to not only quantitative structure activity/property relationship (QSAR/QSPR) models, but also machine learning based chemical and biological data analysis. In this paper, we propose persistent spectral hypergraph ...

A spatial-temporal gated attention module for molecular property prediction based on molecular geometry.

Briefings in bioinformatics
MOTIVATION: Geometry-based properties and characteristics of drug molecules play an important role in drug development for virtual screening in computational chemistry. The 3D characteristics of molecules largely determine the properties of the drug ...

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

Briefings in bioinformatics
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 ident...

A model for predicting drug-disease associations based on dense convolutional attention network.

Mathematical biosciences and engineering : MBE
The development of new drugs is a time-consuming and labor-intensive process. Therefore, researchers use computational methods to explore other therapeutic effects of existing drugs, and drug-disease association prediction is an important branch of i...

Histograms of Frequency-Intensity Distribution Deep Learning to Predict the Seizure Liability of Drugs in Electroencephalography.

Toxicological sciences : an official journal of the Society of Toxicology
Detection of seizures as well as that of seizure auras is effective in improving the predictive accuracy of seizure liability of drugs. Whereas electroencephalography has been known to be effective for the detection of seizure liability, no establish...