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Molecular Property Prediction (MPP) plays a pivotal role across diverse domains, spanning drug discovery, material science, and environmental chemistry. Fueled by the exponential growth of chemical data and the evolution of artificial…

Machine Learning · Computer Science 2024-08-23 Tanya Liyaqat , Tanvir Ahmad , Chandni Saxena

The histological assessment of human tissue has emerged as the key challenge for detection and treatment of cancer. A plethora of different data sources ranging from tissue microarray data to gene expression, proteomics or metabolomics data…

Computer Vision and Pattern Recognition · Computer Science 2016-01-05 Thomas J. Fuchs , Joachim M. Buhmann

Understanding the interactions of different cell types inside the immune tumor microenvironment (iTME) is crucial for the development of immunotherapy treatments as well as for predicting their outcomes. Highly multiplexed tissue imaging…

Computer Vision and Pattern Recognition · Computer Science 2023-02-08 Martin Paulikat , Christian M. Schürch , Christian F. Baumgartner

Histopathological analysis is a cornerstone of cancer diagnosis, with Hematoxylin and Eosin (H&E) staining routinely acquired for every patient to visualize cell morphology and tissue architecture. On the other hand, multiplex…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Guillaume Balezo , Roger Trullo , Albert Pla Planas , Etienne Decenciere , Thomas Walter

Characterization of B-cell protein epitope and developing critical parameters for its identification is one of the long standing interests. Using Layers algorithm, we introduced the concept of anchor residues to identify epitope. We have…

Biomolecules · Quantitative Biology 2016-11-30 Naga Bhushana Rao . K , Ranjit Prasad Bahadur

Electronic Health Records (EHRs) provide crucial information for clinical decision-making. However, their high-dimensionality, heterogeneity, and sparsity make clinical prediction challenging. Large Language Models (LLMs) allowed progress…

Computation and Language · Computer Science 2026-01-28 Jesus Lovon-Melgarejo , Jose G. Moreno , Christine Damase-Michel , Lynda Tamine

Deep learning has recently gained popularity in digital pathology due to its high prediction quality. However, the medical domain requires explanation and insight for a better understanding beyond standard quantitative performance…

Image and Video Processing · Electrical Eng. & Systems 2020-04-28 Miriam Hägele , Philipp Seegerer , Sebastian Lapuschkin , Michael Bockmayr , Wojciech Samek , Frederick Klauschen , Klaus-Robert Müller , Alexander Binder

The adaptive immune system is a natural diagnostic and therapeutic. It recognizes threats earlier than clinical symptoms manifest and neutralizes antigen with exquisite specificity. Recognition specificity and broad reactivity is enabled…

Quantitative Methods · Quantitative Biology 2019-07-26 Alex J. Brown , Igor Snapkov , Rahmad Akbar , Milena Pavlović , Enkelejda Miho , Geir K. Sandve , Victor Greiff

Whole-slide image analysis via the means of computational pathology often relies on processing tessellated gigapixel images with only slide-level labels available. Applying multiple instance learning-based methods or transformer models is…

Computer Vision and Pattern Recognition · Computer Science 2023-10-20 Joshua Butke , Noriaki Hashimoto , Ichiro Takeuchi , Hiroaki Miyoshi , Koichi Ohshima , Jun Sakuma

Accurate grading of Conjunctival Melanocytic Intraepithelial Lesions (CMIL) is essential for treatment and melanoma prediction but remains difficult due to subtle morphological cues and interrelated diagnostic criteria. We introduce…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Mert Ikinci , Luna Toma , Karin U. Loeffler , Leticia Ussem , Daniela Süsskind , Julia M. Weller , Yousef Yeganeh , Martina C. Herwig-Carl , Shadi Albarqouni

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

Quantitative Methods · Quantitative Biology 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Machine Learning · Computer Science 2025-09-25 Jiayi Xin , Aniruddh Raghu , Nick Bhattacharya , Adam Carr , Melanie Montgomery , Hunter Elliott

The overexpression of the human epidermal growth factor receptor 2 (HER2) in breast cells is a key driver of HER2-positive breast cancer, a highly aggressive subtype requiring precise diagnosis and targeted therapy. Immunohistochemistry…

Image and Video Processing · Electrical Eng. & Systems 2026-03-10 Sara Rehmat , Hafeez Ur Rehman , Byeong-Gwon Kang , Sarra Ayouni , Yunyoung Nam

Computational pathology models that use digitized histopathology whole-slide images have the potential to become a cost-effective and scalable alternative to molecular assays for the prediction of genomic biomarkers, a key task in precision…

Quantitative Methods · Quantitative Biology 2026-03-03 Ekaterina Redekop , Eric Zimmermann , Ava P Amini , Alex X Lu , Neil Tenenholtz , James Brian Hall , Lorin Crawford , Kristen A Severson

Envelope model also known as multivariate regression model was proposed to solve the multiple response regression problems. It measures the linear association between predictors and multiple responses by using the minimal reducing subspace…

Methodology · Statistics 2018-05-07 Bochao Jia

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…

Deep learning models exhibit state-of-the-art performance for many predictive healthcare tasks using electronic health records (EHR) data, but these models typically require training data volume that exceeds the capacity of most healthcare…

Machine Learning · Computer Science 2018-10-24 Edward Choi , Cao Xiao , Walter F. Stewart , Jimeng Sun

Accurate prediction of molecular properties is crucial in drug discovery. Traditional methods often overlook that real-world molecules typically exhibit multiple property labels with complex correlations. To this end, we propose a novel…

Quantitative Methods · Quantitative Biology 2024-08-13 Linjia Kang , Songhua Zhou , Shuyan Fang , Shichao Liu

The accurate classification of lymphoma subtypes using hematoxylin and eosin (H&E)-stained tissue is complicated by the wide range of morphological features these cancers can exhibit. We present LymphoML - an interpretable machine learning…

Histopathology imaging is crucial for the diagnosis and treatment of skin diseases. For this reason, computer-assisted approaches have gained popularity and shown promising results in tasks such as segmentation and classification of skin…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Luis Carlos Rivera Monroy , Leonhard Rist , Martin Eberhardt , Christian Ostalecki , Andreas Baur , Julio Vera , Katharina Breininger , Andreas Maier