AIMC Topic: Neural Networks, Computer

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Chemprop: A Machine Learning Package for Chemical Property Prediction.

Journal of chemical information and modeling
Deep learning has become a powerful and frequently employed tool for the prediction of molecular properties, thus creating a need for open-source and versatile software solutions that can be operated by nonexperts. Among the current approaches, direc...

Novel application of convolutional neural networks for artificial intelligence-enabled modified moving average analysis of P-, R-, and T-wave alternans for detection of risk for atrial and ventricular arrhythmias.

Journal of electrocardiology
BACKGROUND: T-wave alternans (TWA) analysis was shown in >14,000 individuals studied worldwide over the past two decades to be a useful tool to assess risk for cardiovascular mortality and sudden arrhythmic death. TWA analysis by the modified moving ...

Non-Contact Thermal and Acoustic Sensors with Embedded Artificial Intelligence for Point-of-Care Diagnostics.

Sensors (Basel, Switzerland)
This work involves exploring non-invasive sensor technologies for data collection and preprocessing, specifically focusing on novel thermal calibration methods and assessing low-cost infrared radiation sensors for facial temperature analysis. Additio...

Adaptive Transfer of Graph Neural Networks for Few-Shot Molecular Property Prediction.

IEEE/ACM transactions on computational biology and bioinformatics
Few-Shot Molecular Property Prediction (FSMPP) is an improtant task on drug discovery, which aims to learn transferable knowledge from base property prediction tasks with sufficient data for predicting novel properties with few labeled molecules. Its...

T-MGCL: Molecule Graph Contrastive Learning Based on Transformer for Molecular Property Prediction.

IEEE/ACM transactions on computational biology and bioinformatics
In recent years, machine learning has gained increasing traction in the study of molecules, enabling researchers to tackle challenging tasks including molecular property prediction and drug design.Consequently, there remains an open challenge to deve...

Protein-Protein Interaction Site Prediction Based on Attention Mechanism and Convolutional Neural Networks.

IEEE/ACM transactions on computational biology and bioinformatics
Proteins usually perform their cellular functions by interacting with other proteins. Accurate identification of protein-protein interaction sites (PPIs) from sequence is import for designing new drugs and developing novel therapeutics. A lot of comp...

A Unified Multi-Class Feature Selection Framework for Microarray Data.

IEEE/ACM transactions on computational biology and bioinformatics
In feature selection research, simultaneous multi-class feature selection technologies are popular because they simultaneously select informative features for all classes. Recursive feature elimination (RFE) methods are state-of-the-art binary featur...

A Deep Learning Approach to the Prediction of Drug Side-Effects on Molecular Graphs.

IEEE/ACM transactions on computational biology and bioinformatics
Predicting drug side effects before they occur is a critical task for keeping the number of drug-related hospitalizations low and for improving drug discovery processes. Automatic predictors of side-effects generally are not able to process the struc...

TransRNAm: Identifying Twelve Types of RNA Modifications by an Interpretable Multi-Label Deep Learning Model Based on Transformer.

IEEE/ACM transactions on computational biology and bioinformatics
Accurate identification of RNA modification sites is of great significance in understanding the functions and regulatory mechanisms of RNAs. Recent advances have shown great promise in applying computational methods based on deep learning for accurat...