AIMC Topic: Cell Proliferation

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ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning.

Nature communications Nov 22, 2024
Despite the significant potential of generative models, low synthesizability of many generated molecules limits their real-world applications. In response to this issue, we develop ClickGen, a deep learning model that utilizes modular reactions like ...
Humans Cell Proliferation Poly (ADP-Ribose) Polymerase-1 Poly(ADP-ribose) Polymerase Inhibitors Click Chemistry Molecular Docking Simulation Antineoplastic Agents Deep Learning Cell Line, Tumor
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Machine learning models reveal ARHGAP11A's impact on lymph node metastasis and stemness in NSCLC.

BioFactors (Oxford, England) Oct 31, 2024
Most patients with non-small cell lung cancer (NSCLC) are diagnosed at an advanced stage of the disease, which complicates treatment due to a heightened risk of metastasis. Consequently, the timely identification of biomarkers associated with lymph n...
GTPase-Activating Proteins Cell Proliferation Neoplastic Stem Cells Carcinoma, Non-Small-Cell Lung Lymphatic Metastasis Machine Learning Prognosis Male Female Middle Aged Humans Biomarkers, Tumor Cell Line, Tumor Lung Neoplasms Gene Expression Regulation, Neoplastic
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Comprehensive multi-omics analysis identifies chromatin regulator-related signatures and TFF1 as a therapeutic target in lung adenocarcinoma through a 429-combination machine learning approach.

Frontiers in immunology Oct 30, 2024
INTRODUCTION: Lung cancer is a leading cause of cancer-related deaths, with its incidence continuing to rise. Chromatin remodeling, a crucial process in gene expression regulation, plays a significant role in the development and progression of malign...
Trefoil Factor-1 Lung Neoplasms Cell Proliferation Humans Mice Tumor Microenvironment Machine Learning Multiomics Apoptosis Biomarkers, Tumor Prognosis Gene Expression Regulation, Neoplastic Xenograft Model Antitumor Assays Animals Female Adenocarcinoma of Lung Cell Line, Tumor Chromatin
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Ultrasound-based artificial intelligence model for prediction of Ki-67 proliferation index in soft tissue tumors.

Academic radiology Oct 15, 2024
RATIONALE AND OBJECTIVES: To investigate the value of deep learning (DL) combined with radiomics and clinical and imaging features in predicting the Ki-67 proliferation index of soft tissue tumors (STTs).
Humans Artificial Intelligence Retrospective Studies Aged Female Deep Learning Adult Ultrasonography Male Cell Proliferation Middle Aged Soft Tissue Neoplasms Ki-67 Antigen
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Wee1 inhibitor optimization through deep-learning-driven decision making.

European journal of medicinal chemistry Sep 29, 2024
Deep learning has gained increasing attention in recent years, yielding promising results in hit screening and molecular optimization. Herein, we employed an efficient strategy based on multiple deep learning techniques to optimize Wee1 inhibitors, w...
Antineoplastic Agents Deep Learning Cell Line, Tumor Cell Proliferation Dose-Response Relationship, Drug Protein-Tyrosine Kinases Decision Making Drug Screening Assays, Antitumor Structure-Activity Relationship Humans Molecular Structure Protein Kinase Inhibitors Cell Cycle Proteins
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Deep learning reveals a damage signalling hierarchy that coordinates different cell behaviours driving wound re-epithelialisation.

Development (Cambridge, England) Sep 24, 2024
One of the key tissue movements driving closure of a wound is re-epithelialisation. Earlier wound healing studies describe the dynamic cell behaviours that contribute to wound re-epithelialisation, including cell division, cell shape changes and cell...
Deep Learning Cell Proliferation Signal Transduction Wound Healing Cell Movement Macrophages Animals Wings, Animal Calcium Signaling Pupa Re-Epithelialization Epithelium Drosophila Proteins Drosophila melanogaster Cell Shape
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Impact of Mitophagy-Related Genes on the Diagnosis and Development of Esophageal Squamous Cell Carcinoma via Single-Cell RNA-seq Analysis and Machine Learning Algorithms.

Journal of microbiology and biotechnology Sep 23, 2024
As a treatment for esophageal squamous cell carcinoma (ESCC), which is common and fatal, mitophagy is a conserved cellular mechanism that selectively removes damaged mitochondria and is crucial for cellular homeostasis. While tumor development and re...
Cell Line, Tumor Esophageal Squamous Cell Carcinoma Apoptosis Regulatory Proteins Single-Cell Analysis Machine Learning Algorithms RNA-Seq Mitochondrial Proteins Prognosis Gene Expression Regulation, Neoplastic Humans Single-Cell Gene Expression Analysis Mitophagy Biomarkers, Tumor Cell Proliferation Transcriptome Cell Movement Esophageal Neoplasms Mitochondria
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Low-pass whole genome sequencing of circulating tumor cells to evaluate chromosomal instability in triple-negative breast cancer.

Scientific reports Sep 3, 2024
Chromosomal Instability (CIN) is a common and evolving feature in breast cancer. Large-scale Transitions (LSTs), defined as chromosomal breakages leading to gains or losses of at least 10 Mb, have recently emerged as a metric of CIN due to their stan...
Predictive Learning Models Chromosomal Instability Cell Line, Tumor Triple Negative Breast Neoplasms Cell Proliferation DNA Copy Number Variations Area Under Curve Neoplastic Cells, Circulating Humans Whole Genome Sequencing Machine Learning Feasibility Studies Female DNA Repair Reproducibility of Results
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Synthesis, Docking, and Machine Learning Studies of Some Novel Quinolinesulfonamides-Triazole Hybrids with Anticancer Activity.

Molecules (Basel, Switzerland) Jul 2, 2024
In the presented work, a series of 22 hybrids of 8-quinolinesulfonamide and 1,4-disubstituted triazole with antiproliferative activity were designed and synthesised. The title compounds were designed using molecular modelling techniques. For this pur...
Molecular Dynamics Simulation Sulfonamides Cell Line, Tumor Triazoles Humans Quinolines Cell Proliferation Machine Learning Structure-Activity Relationship Molecular Docking Simulation Molecular Structure Antineoplastic Agents
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From Deep Learning to the Discovery of Promising VEGFR-2 Inhibitors.

ChemMedChem Jun 20, 2024
Vascular endothelial growth factor receptor 2 (VEGFR-2) stands as a prominent therapeutic target in oncology, playing a critical role in angiogenesis, tumor growth, and metastasis. FDA-approved VEGFR-2 inhibitors are associated with diverse side effe...
Antineoplastic Agents Deep Learning Cell Line, Tumor Cell Proliferation Dose-Response Relationship, Drug Protein Kinase Inhibitors Humans Drug Screening Assays, Antitumor Molecular Docking Simulation Structure-Activity Relationship Drug Discovery Molecular Structure Vascular Endothelial Growth Factor Receptor-2
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