Journal of chemical information and modeling
Jul 4, 2025
In recent years, virtual screening of ultralarge (10) libraries of synthetically accessible compounds (uHTVS) became a popular approach in hit identification. With AI-assisted virtual screening workflows, such as Deep Docking, these protocols might b...
BACKGROUND: To evaluate the performance of deep learning models in classifying parotid gland tumors using T2-weighted, diffusion-weighted, and contrast-enhanced T1-weighted MR images, along with DCE data derived from time-intensity curves.
Deep learning has been used for automatic planning of radiotherapy targets, such as inferring the clinical target volume (CTV) for a given new patient. However, previous deep learning methods mainly focus on predicting CTV from CT images without cons...
Magnetic Resonance Imaging (MRI) and Computed Tomography (CT) are essential clinical cross-sectional imaging techniques for diagnosing complex conditions. However, large 3D datasets with annotations for deep learning are scarce. While methods like DI...
The integration of machine learning (ML) and deep learning models in suicide risk assessment has advanced significantly in recent years. In this study, we utilized ML in a case-control design, we predicted completed suicides using publicly available,...
Early and accurate detection of oral cancer plays a pivotal role in improving patient outcomes. This research introduces a custom-designed, 19-layer convolutional neural network (CNN) for the automated diagnosis of oral cancer using clinical images o...
The blood-brain barrier (BBB) plays a crucial role in maintaining brain homeostasis. During ageing, the BBB undergoes structural alterations. Electron microscopy (EM) is the gold standard for studying the structural alterations of the brain vasculatu...
The absence of reliable early treatment serves as one of the main causes of cervical cancer. Hence, it is crucial to detect cervical cancer early. The biggest challenge in diagnosing cervical cancer early is that it is asymptomatic until it develops ...
Accurate prediction of drug side effect frequencies is critical for drug safety assessment but remains challenging due to the high cost of clinical trials and the limited generalizability of existing models. We propose Multi Fingerprint and Graph Emb...
Brain tumours (BTs) are severe neurological disorders. They affect more than 308,000 people each year worldwide. The mortality rate is over 251,000 deaths annually (IARC, 2020 reports). Detecting BTs is complex because they vary in nature. Early diag...
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