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A Database for Large-Scale Docking and Experimental Results.

Journal of chemical information and modeling
The rapid expansion of readily accessible compounds over the past six years has transformed molecular docking, improving hit rates and affinities. While many millions of molecules may score well in a docking campaign, the results are rarely fully sha...

Early prediction of sepsis associated encephalopathy in elderly ICU patients using machine learning models: a retrospective study based on the MIMIC-IV database.

Frontiers in cellular and infection microbiology
BACKGROUND: Sepsis associated encephalopathy (SAE) is prevalent among elderly patients in the ICU and significantly affects patient prognosis. Due to the symptom similarity with other neurological disorders and the absence of specific biomarkers, ear...

Classification of Neuropsychiatric Disorders via Brain-Region-Selected Graph Convolutional Network.

IEEE transactions on neural systems and rehabilitation engineering : a publication of the IEEE Engineering in Medicine and Biology Society
For the classification of patients with neuropsychiatric disorders based on rs-fMRI data, this paper proposed a Brain-Region-Selected graph convolutional network (BRS-GCN). In order to effectively identify the most significant biomarkers associated w...

Enhancing Neurodegenerative Disease Diagnosis Through Confidence-Driven Dynamic Spatio-Temporal Convolutional Network.

IEEE transactions on neural systems and rehabilitation engineering : a publication of the IEEE Engineering in Medicine and Biology Society
Dynamic brain networks are more effective than static networks in characterizing the evolving patterns of brain functional connectivity, making them a more promising tool for diagnosing neurodegenerative diseases. However, existing classification met...

Factors influencing short-term and long-term survival rates in stroke patients receiving enteral nutrition: a machine learning approach using MIMIC-IV database.

BMC neurology
PURPOSE: This study aims to evaluate the survival and mortality rates of stroke patients after receiving enteral nutrition, and to explore factors influencing long-term survival. With an aging society, nutritional management of stroke patients has be...

Contrastive learning and mixture of experts enables precise vector embeddings in biological databases.

Scientific reports
The advancement of transformer neural networks has significantly enhanced the performance of sentence similarity models. However, these models often struggle with highly discriminative tasks and generate sub-optimal representations of complex documen...

EEG-based epilepsy detection using CNN-SVM and DNN-SVM with feature dimensionality reduction by PCA.

Scientific reports
This study focuses on epilepsy detection using hybrid CNN-SVM and DNN-SVM models, combined with feature dimensionality reduction through PCA. The goal is to evaluate the effectiveness and performance of these models in accurately identifying epilepti...

Attention in surgical phase recognition for endoscopic pituitary surgery: Insights from real-world data.

Computers in biology and medicine
BACKGROUND AND OBJECTIVE: Surgical Phase Recognition systems are used to support the automated documentation of a procedure and to provide the surgical team with real-time feedback, potentially improving surgical outcome and reducing adverse events. ...

Explainable deep stacking ensemble model for accurate and transparent brain tumor diagnosis.

Computers in biology and medicine
Early detection of brain tumors in MRI images is vital for improving treatment results. However, deep learning models face challenges like limited dataset diversity, class imbalance, and insufficient interpretability. Most studies rely on small, sing...

Data Exploration for Target Predictions Using Proprietary and Publicly Available Data Sets.

Chemical research in toxicology
When applying machine learning (ML) approaches for the prediction of bioactivity, it is common to collect data from different assays or sources and combine them into single data sets. However, depending on the data domains and sources from which thes...