The epidermal growth factor receptor (EGFR) is a key regulator of cell proliferation and a well-established therapeutic target in non-small-cell lung cancer (NSCLC). Somatic mutations in the EGFR gene have been widely studied in the context of tyrosi...
Journal of computer-aided molecular design
Nov 12, 2025
Deep generative models may detect novel compounds with favourable features, exhibiting chemical design potential. Traditional single-stage variational autoencoders (VAEs) lack validity, uniqueness, and biologically meaningful distribution alignment. ...
Epidermal Growth Factor Receptor (EGFR) plays a critical role in the development of several cancers. Thus, modulation/inhibition of EGFR activity is an appealing target of developing novel cancer therapeutics. With the advent of modern machine learni...
PURPOSE: This study evaluated the dynamic changes in the tumor microenvironment (TME) in patients with non-small cell lung cancer (NSCLC) and acquired resistance to epidermal growth factor receptor (EGFR)-tyrosine kinase inhibitors (TKIs) using an ar...
Epidermal growth factor receptor (EGFR) overexpression is a key oncogenic driver in breast cancer, making it an important therapeutic target. Conventional approaches for EGFR identification, including motif- and homology-based methods, often lack acc...
Protein-ligand interactions play central roles in myriad biological processes and are of key importance in drug design. Deep learning approaches are becoming cost-effective alternatives to high-throughput experimental methods for ligand identificatio...
OBJECTIVES: This study aims to establish a dual-feature fusion model integrating radiomic features with deep learning features, utilizing single-modality pre-treatment lung CT image data to achieve early warning of brain metastasis (BM) risk within 2...
Journal of chemical information and modeling
Jun 5, 2025
Small-molecule drugs play a critical role in cancer therapy by selectively targeting key signaling pathways that drive tumor growth. While deep learning models have advanced drug discovery, there remains a lack of generative frameworks for covalent ...
Journal of chemical information and modeling
May 20, 2025
Mycotoxins are potent triggers of hepatocellular carcinoma (HCC) due to their intricate interplay with cellular macromolecules and signaling pathways. This study integrates machine learning and biomolecular analyses to elucidate the mechanisms underl...
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