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Many tools exist for extracting structural and physiochemical descriptors from linear peptides to predict their properties, but similar tools for hydrocarbon-stapled peptides are lacking.Here, we present StaPep, a Python-based toolkit…

Biomolecules · Quantitative Biology 2024-02-29 Zhe Wang , Jianping Wu , Mengjun Zheng , Chenchen Geng , Borui Zhen , Wei Zhang , Hui Wu , Zhengyang Xu , Gang Xu , Si Chen , Xiang Li

Motivation: Peptides have attracted the attention in this century due to their remarkable therapeutic properties. Computational tools are being developed to take advantage of existing information, encapsulating knowledge and making it…

Deep learning models are notoriously data-hungry. Thus, there is an urging need for data-efficient techniques in medical image analysis, where well-annotated data are costly and time consuming to collect. Motivated by the recently revived…

Computer Vision and Pattern Recognition · Computer Science 2021-07-22 Jiawei Yang , Yao Zhang , Yuan Liang , Yang Zhang , Lei He , Zhiqiang He

A two-layer neural network model that systematically includes correlations among input variables to arbitrary order and is designed to implement Bayes inference has been adapted to classify breast cancer tumors as malignant or benign,…

Machine Learning · Computer Science 2019-12-17 Aditya Cowsik , John W. Clark

The prediction plays the important role in detecting efficient protection and therapy of cancer. The prediction of mutations in gene needs a diagnostic and classification, which is based on the whole database (big dataset), to reach…

Machine Learning · Computer Science 2016-08-10 Ayad Ghany Ismaeel , Dina Yousif Mikhail

This study integrates PET metabolic information with CT anatomical structures to establish a 3D multimodal segmentation dataset for lymphoma based on whole-body FDG PET/CT examinations, which bridges the gap of the lack of standardised…

Image and Video Processing · Electrical Eng. & Systems 2025-12-08 Jiajun Ding , Beiyao Zhu , Xiaosheng Liu , Lishen Zhang , Zhao Liu

Framing the investigation of diverse cancers as a machine learning problem has recently shown significant potential in multi-omics analysis and cancer research. Empowering these successful machine learning models are the high-quality…

Genomics · Quantitative Biology 2025-06-17 Ziwei Yang , Rikuto Kotoge , Xihao Piao , Zheng Chen , Lingwei Zhu , Peng Gao , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Breast cancer is one of the most common cancers affecting women worldwide. They include a group of malignant neoplasms with a variety of biological, clinical, and histopathological characteristics. There are more than 35 different…

Image and Video Processing · Electrical Eng. & Systems 2023-08-23 Abubakr Shafique , Ricardo Gonzalez , Liron Pantanowitz , Puay Hoon Tan , Alberto Machado , Ian A Cree , Hamid R. Tizhoosh

Artificial intelligence is revolutionizing computational chemistry, bringing unprecedented innovation and efficiency to the field. To further advance research and expedite progress, we introduce the Quantum Open Organic Molecular (QO2Mol)…

Chemical Physics · Physics 2024-10-28 Weiqi Liu , Xi Ai , Zhijian Zhou , Chao Qu , Junyi An , Zhipeng Zhou , Yuan Cheng , Yinghui Xu , Fenglei Cao , Alan Qi

The essence of precision oncology lies in its commitment to tailor targeted treatments and care measures to each patient based on the individual characteristics of the tumor. The inherent heterogeneity of tumors necessitates gathering…

Quantitative Methods · Quantitative Biology 2024-07-01 Huajun Zhou , Fengtao Zhou , Chenyu Zhao , Yingxue Xu , Luyang Luo , Hao Chen

HONeYBEE (Harmonized ONcologY Biomedical Embedding Encoder) is an open-source framework that integrates multimodal biomedical data for oncology applications. It processes clinical data (structured and unstructured), whole-slide images,…

Machine Learning · Computer Science 2025-08-28 Aakash Tripathi , Asim Waqas , Matthew B. Schabath , Yasin Yilmaz , Ghulam Rasool

Anticancer peptides (ACPs) are a class of molecules that have gained significant attention in the field of cancer research and therapy. ACPs are short chains of amino acids, the building blocks of proteins, and they possess the ability to…

Biomolecules · Quantitative Biology 2024-01-05 Zeynep Hilal Kilimci , Mustafa Yalcin

Recently, therapeutic peptides have demonstrated great promise for cancer treatment. To explore powerful anticancer peptides, artificial intelligence (AI)-based approaches have been developed to systematically screen potential candidates.…

Quantitative Methods · Quantitative Biology 2025-04-16 Joshua Zhi En Tan , JunJie Wee , Xue Gong , Kelin Xia

Human epidermal growth factor receptor 2 (HER2) is a critical protein in cancer cell growth that signifies the aggressiveness of breast cancer (BC) and helps predict its prognosis. Accurate assessment of immunohistochemically (IHC) stained…

Personalized cancer vaccines are envisioned as the next generation rational cancer immunotherapy. The key step in developing personalized therapeutic cancer vaccines is to identify tumor-specific neoantigens that are on the surface of tumor…

Machine Learning · Computer Science 2019-05-23 Rui Qiao , Ngoc Hieu Tran , Lei Xin , Baozhen Shan , Ming Li , Ali Ghodsi

We present a new method for exploring cancer gene expression data based on tools from algebraic topology. Our method selects a small relevant subset from tens of thousands of genes while simultaneously identifying nontrivial higher order…

Genomics · Quantitative Biology 2014-10-15 Svetlana Lockwood , Bala Krishnamoorthy

Alterations in nuclear morphology are useful adjuncts and even diagnostic tools used by pathologists in the diagnosis and grading of many tumors, particularly malignant tumors. Large datasets such as TCGA and the Human Protein Atlas, in…

Quantitative Methods · Quantitative Biology 2023-02-06 Mohammad Shifat E Rabbi , Natasha Ironside , John A Ozolek , Rajendra Singh , Liron Pantanowitz , Gustavo K Rohde

The Protein Data Bank (PDB) contains more than 135 000 entries today. From these, relatively few amyloid structures can be identified, since amyloids are insoluble in water. Therefore, mostly solid state NMR-recorded amyloid structures are…

Biomolecules · Quantitative Biology 2018-05-28 Kristof Takacs , Balint Varga , Vince Grolmusz

Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…

Summary: Data management in clinical metabolomics studies is often inadequate. To improve this situation we created LabPipe to provide a guided, customisable approach to study-specific sample collection. It is driven through a local client…

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