Journal of chemical information and modeling
Jun 5, 2025
Determining accurate drug dissolution processes in the gastrointestinal tract is critical in drug discovery as dissolution profiles provide essential information for estimating the bioavailability of orally administered drugs. While various methods h...
BACKGROUND AND OBJECTIVE: Stroke ranks among the leading causes of disability and death worldwide. Timely detection can reduce its impact. Machine learning delivers powerful tools for image‑based diagnosis. This study introduces StrokeNeXt, a lightwe...
Non-linear interactions among single nucleotide polymorphisms (SNPs), genes, and pathways play an important role in human diseases, but identifying these interactions is a challenging task. Neural networks are state-of-the-art predictors in many doma...
In clinical medicine, a reliable and resource-friendly computer-aided diagnosis (CAD) method for brain tumor segmentation is essential to enhance diagnostic accuracy and therapeutic outcomes, particularly in regions with uneven healthcare resource di...
To assess the suitability of Transformer-based architectures for medical image segmentation and investigate the potential advantages of Graph Neural Networks (GNNs) in this domain. We analyze the limitations of the Transformer, which models medical i...
We present a protein engineering approach to directed evolution with machine learning that integrates a new semi-supervised neural network fitness prediction model, Seq2Fitness, and an innovative optimization algorithm, biphasic annealing for diverse...
BACKGROUND: The high prevalence of cognitive impairment (CI) in Chronic kidney disease (CKD) patients impacts their quality of life and prognosis, yet risk prediction models for CI in this population remain underexplored.
This study presents an advanced adaptive network steganography paradigm that integrates deep learning methodologies with multimedia video analysis to enhance the universality and security of network steganography practices. The proposed approach util...
Identifying protective antigens (PAs), i.e., targets for bacterial vaccines, is challenging as conducting in-vivo tests at the proteome scale is impractical. Reverse Vaccinology (RV) aids in narrowing down the pool of candidates through computational...
A method to directly predict the number of nucleic acid bases in a single-stranded DNA (ssDNA) or a genomic DNA has been proposed with a combination of Raman spectroscopy and an Artificial Neural Network (ANN) algorithm. In this work, the algorithm w...
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