AIMC Topic: Computational Biology

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A machine learning-based chemoproteomic approach to identify drug targets and binding sites in complex proteomes.

Nature communications
Chemoproteomics is a key technology to characterize the mode of action of drugs, as it directly identifies the protein targets of bioactive compounds and aids in the development of optimized small-molecule compounds. Current approaches cannot identif...

Efficient and Effective Training of COVID-19 Classification Networks With Self-Supervised Dual-Track Learning to Rank.

IEEE journal of biomedical and health informatics
Coronavirus Disease 2019 (COVID-19) has rapidly spread worldwide since first reported. Timely diagnosis of COVID-19 is crucial both for disease control and patient care. Non-contrast thoracic computed tomography (CT) has been identified as an effecti...

CWLy-pred: A novel cell wall lytic enzyme identifier based on an improved MRMD feature selection method.

Genomics
Cell wall lytic enzymes play key roles in biochemical, morphological, genetic research and industry fields. To save time and labor costs, bioinformatic methods are usually adopted to narrow the scope of in vitro experimentation. In this paper, we est...

Visual perception of liquids: Insights from deep neural networks.

PLoS computational biology
Visually inferring material properties is crucial for many tasks, yet poses significant computational challenges for biological vision. Liquids and gels are particularly challenging due to their extreme variability and complex behaviour. We reasoned ...

Machine learning-based mortality rate prediction using optimized hyper-parameter.

Computer methods and programs in biomedicine
OBJECTIVE AND BACKGROUND: The current scenario of the Pandemic of COVID-19 demands multi-channel investigations and predictions. A variety of prediction models are available in the literature. The majority of these models are based on extrapolating b...

Application of Deep Learning for Early Screening of Colorectal Precancerous Lesions under White Light Endoscopy.

Computational and mathematical methods in medicine
METHODS: We collected and sorted out the white light endoscopic images of some patients undergoing colonoscopy. The convolutional neural network model is used to detect whether the image contains lesions: CRC, colorectal adenoma (CRA), and colorectal...

Deep computational pathology in breast cancer.

Seminars in cancer biology
Deep Learning (DL) algorithms are a set of techniques that exploit large and/or complex real-world datasets for cross-domain and cross-discipline prediction and classification tasks. DL architectures excel in computer vision tasks, and in particular ...

Prediction of Neuropeptides from Sequence Information Using Ensemble Classifier and Hybrid Features.

Journal of proteome research
As hormones in the endocrine system and neurotransmitters in the immune system, neuropeptides (NPs) provide many opportunities for the discovery of new drugs and targets for nervous system disorders. In spite of their importance in the hormonal regul...

Machine Learning based histology phenotyping to investigate the epidemiologic and genetic basis of adipocyte morphology and cardiometabolic traits.

PLoS computational biology
Genetic studies have recently highlighted the importance of fat distribution, as well as overall adiposity, in the pathogenesis of obesity-associated diseases. Using a large study (n = 1,288) from 4 independent cohorts, we aimed to investigate the re...

The use of knowledge management tools in viroinformatics. Example study of a highly conserved sequence motif in Nsp3 of SARS-CoV-2 as a therapeutic target.

Computers in biology and medicine
Knowledge management tools that assist in systematic review and exploration of scientific knowledge generally are of obvious potential importance in evidence based medicine in general, but also to the design of therapeutics based on the protein subse...