AIMC Topic: Machine Learning

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On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches.

Current topics in medicinal chemistry
Inhibition of non-structural protein 5B (NS5B) represents an attractive strategy for the therapeutic treatment of hepatitis C virus (HCV). In this study, machine learning classifiers such as artificial neural network (ANN), support vector machine (SV...

Constructing query-driven dynamic machine learning model with application to protein-ligand binding sites prediction.

IEEE transactions on nanobioscience
We are facing an era with annotated biological data rapidly and continuously generated. How to effectively incorporate new annotated data into the learning step is crucial for enhancing the performance of a bioinformatics prediction model. Although m...

Compensating for the effects of site and equipment variation on delphinid species identification from their echolocation clicks.

The Journal of the Acoustical Society of America
A concern for applications of machine learning techniques to bioacoustics is whether or not classifiers learn the categories for which they were trained. Unfortunately, information such as characteristics of specific recording equipment or noise envi...

Machine learning from concept to clinic: reliable detection of BRAF V600E DNA mutations in thyroid nodules using high-dimensional RNA expression data.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
The promise of personalized medicine will require rigorously validated molecular diagnostics developed on minimally invasive, clinically relevant samples. Measurement of DNA mutations is increasingly common in clinical settings but only higher-preval...

Compressed images for affinity prediction-2 (CIFAP-2): an improved machine learning methodology on protein-ligand interactions based on a study on caspase 3 inhibitors.

Journal of enzyme inhibition and medicinal chemistry
The aim of this study is to propose an improved computational methodology, which is called Compressed Images for Affinity Prediction-2 (CIFAP-2) to predict binding affinities of structurally related protein-ligand complexes. CIFAP-2 method is establi...

Advances in protein contact map prediction based on machine learning.

Medicinal chemistry (Shariqah (United Arab Emirates))
A protein contact map is a simplified, two-dimensional version of the three-dimensional protein structure. Protein contact map is proved to be crucial in forming the three-dimensional structure. Contact map prediction has now become an indispensable ...

Some remarks on prediction of protein-protein interaction with machine learning.

Medicinal chemistry (Shariqah (United Arab Emirates))
Protein-protein interactions (PPIs) play a key role in many cellular processes. Uncovering the PPIs and their function within the cell is a challenge of post-genomic biology and will improve our understanding of disease and help in the development of...