AIMC Topic: Machine Learning

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DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method.

Briefings in bioinformatics
Identifying drug-target interactions (DTIs) is an important step for drug discovery and drug repositioning. To reduce the experimental cost, a large number of computational approaches have been proposed for this task. The machine learning-based model...

Meta-i6mA: an interspecies predictor for identifying DNA N6-methyladenine sites of plant genomes by exploiting informative features in an integrative machine-learning framework.

Briefings in bioinformatics
DNA N6-methyladenine (6mA) represents important epigenetic modifications, which are responsible for various cellular processes. The accurate identification of 6mA sites is one of the challenging tasks in genome analysis, which leads to an understandi...

RNA-binding protein recognition based on multi-view deep feature and multi-label learning.

Briefings in bioinformatics
RNA-binding protein (RBP) is a class of proteins that bind to and accompany RNAs in regulating biological processes. An RBP may have multiple target RNAs, and its aberrant expression can cause multiple diseases. Methods have been designed to predict ...

AntiCP 2.0: an updated model for predicting anticancer peptides.

Briefings in bioinformatics
Increasing use of therapeutic peptides for treating cancer has received considerable attention of the scientific community in the recent years. The present study describes the in silico model developed for predicting and designing anticancer peptides...

Microbes and complex diseases: from experimental results to computational models.

Briefings in bioinformatics
Studies have shown that the number of microbes in humans is almost 10 times that of cells. These microbes have been proven to play an important role in a variety of physiological processes, such as enhancing immunity, improving the digestion of gastr...

A large-scale investigation and identification of methicillin-resistant Staphylococcus aureus based on peaks binning of matrix-assisted laser desorption ionization-time of flight MS spectra.

Briefings in bioinformatics
Recent studies have demonstrated that the matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) could be used to detect superbugs, such as methicillin-resistant Staphylococcus aureus (MRSA). Due to an increasingl...

Predicting microRNA-disease associations from lncRNA-microRNA interactions via Multiview Multitask Learning.

Briefings in bioinformatics
MOTIVATION: Identifying microRNAs that are associated with different diseases as biomarkers is a problem of great medical significance. Existing computational methods for uncovering such microRNA-diseases associations (MDAs) are mostly developed unde...

Computationally predicting binding affinity in protein-ligand complexes: free energy-based simulations and machine learning-based scoring functions.

Briefings in bioinformatics
Accurately predicting protein-ligand binding affinities can substantially facilitate the drug discovery process, but it remains as a difficult problem. To tackle the challenge, many computational methods have been proposed. Among these methods, free ...

Dr AFC: drug repositioning through anti-fibrosis characteristic.

Briefings in bioinformatics
Fibrosis is a key component in the pathogenic mechanism of a variety of diseases. These diseases involving fibrosis may share common mechanisms and therapeutic targets, and therefore common intervention strategies and medicines may be applicable for ...

The impact of compound library size on the performance of scoring functions for structure-based virtual screening.

Briefings in bioinformatics
Larger training datasets have been shown to improve the accuracy of machine learning (ML)-based scoring functions (SFs) for structure-based virtual screening (SBVS). In addition, massive test sets for SBVS, known as ultra-large compound libraries, ha...