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IEEE Transactions on Computational Biology and bioinformatics 2025年第2期22卷 570-580页

作者： Kazuhiro Ikkyu Itoshi Nikaido Systems and Information Engineering Graduate School of Science and Technology University of Tsukuba Tsukuba Japan Life Science Innovation (Bioinformatics) University of Tsukuba Tsukuba Japan Laboratory for Bioinformatics Research RIKEN Center for Biosystems Dynamics Research Saitama Japan Department of Functional Genome Informatics Division of Biological Data Science Medical Research Laboratory (MRL) Institute of Integrated Research (IIR) Institute of Science Tokyo Bunkyo Japan

Neoepitopes are significant therapeutic cancer vaccine candidates, given that tumor neoepitopes induce an immune response to eliminate cancer cells. This immune activation depends on the binding affinity between the antigen peptide and the major histocompatibility complex (MHC). The epitope–MHC binding assay is a technologically difficult, time-consuming, and expensive technique. Therefore, prediction methods for these binding affinities have been developed using computational prediction approaches. However, these predictive models are trained on datasets biased toward viral peptides and some MHC alleles and are limited in their prediction of neoepitopes. In particular, because of the wide variety of MHC class II binding formats, the performance of MHC class II prediction must be improved. Here, we propose a novel deep learning model that consists of multi-task bidirectional long short-term memory (Bi-LSTM) models. Our multi-task model can predict neoepitope–MHC class II bindings from limited training data by sharing MHC class I and II training parameters. We confirm that multi-task learning significantly enhances the prediction performances of cancer antigens. Our model achieves an area under the receiver operating characteristic curve (AUC-ROC) of 82.2%, outperforming existing state-of-the-art single allele neoantigen prediction models while maintaining its strong generalization performance.

关键词： Peptides Predictive models Multitasking Antigens Cancer data models Training Computer architecture Training data Immune system

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Mapping the Scientific Landscape of Integrated Scheduling Towards Industry 5.0 with A Bibliometric Analysis 6

Mapping the Scientific Landscape of Integrated Scheduling To...

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6th International Conference on Industry 4.0 and Smart Manufacturing, ISM 2024

作者： Putri Ardyanti, Anak Agung Ayu Xie, Zhiqiang Karnyoto, Andrea Stevens Pardamean, Bens Estiyanti, Ni Made School of Computer Science and Technology Harbin University of Science and Technology Harbin150000 China Faculty of Information Technology and Design Primakara University Bali 80226 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia Computer Science Department BINUS Graduate Program Master of Computer Science Bina Nusantara University Jakarta 11480 Indonesia School of Management and Business University of Debrecen Debrecen Hungary

The industry is rapidly transitioning from the 4.0 era to the 5.0 era, prompting renewed interest among scholars in scheduling problems. They allow operations to process and assemble various components simultaneously. This bibliometric analysis provides a comprehensive understanding of the diverse research perspectives on the potential challenges of integrated scheduling within the framework. We identified 357 Scopus articles and analysed co-occurrence keyword (CNK) by VOSViewer tools and Global Citation Score (GCS) by Scopus tools. The research data obtained from 1993 to 2023 mainly in the subject areas of Engineering, Computer science, Maths, and others. CNK identified six cluster keywords, and nine most cited articles based on normalised GCS. These results contribute to our understanding of the development of scheduling algorithms, shifting from an emphasis on manufacturing transfers to contemporary demand-centric research directions. Furthermore, this research provides a valuable perspective for policymakers, plant personnel, and manufacturing managers to make informed decisions. © 2025 The Authors. Published by Elsevier B.V.

关键词： Job shop scheduling

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Single-cell technologies: current and near future

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science China(Life sciences) 2025年第1期68卷 1-4页

作者： Chenfei Wang Qi Liu Xiaohui Fan Tieliu Shi KeyLaboratory of Spine and Spinal CordInjury Repairand Regeneration Ministry of EducationOrthopedics DepartmentTongji HospitalBioinformatics DepartmentSchoolofLifeSciencesandTechnologyTongji UniversityShanghai 200082China Frontier Science Center for Stem Cells School of Life Sciences and TechnologyTongji UniversityShanghai 200092China Translational Medical Center for Stem Cell Therapy and Institute for Regenerative Medicine Shanghai East HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji UniversityShanghai 200082China Research Institute of Intelligent Computing Zhejiang LabHangzhou 311121China Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China National Key Laboratory of Chinese Medicine Modernization Innovation Center of Yangtze River DeltaZhejiang UniversityJiaxing 314103China Center for Bioinformatics and Computational Biology Shanghai Key Laboratory of Regulatory Biologythe Institute of Biomedical Sciences and School of Life SciencesEast China Normal UniversityShanghai 200241China Key Laboratory of Advanced Theory and Application in Statistics and Data Science(MOE) School of StatisticsEast China Normal UniversityShanghai 200062China

Single-cell technologies enable the indepth exploration of multiple biological hierarchies at the scale of individual cells,which have deepened our knowledge of cellular diversity,tissue organization,and overall organism function(Sun et al.,2024).In 2009,single-cell RNA sequencing(scRNA-seq)was first developed as a powerful tool to dissect gene expression and uncover transcriptional *** the rapid advancement of technology,single-cell approaches have expanded to encompass other omics,such as genomics,epigenomics,proteomics,and ***,multimodal technologies including spatially resolved transcriptomics and clustered regularly interspaced short palindromic repeats(CRISPR)screening at the single-cell level further advanced our ability to comprehensively understand cellular ***-cell methods provide deeper insights into disease mechanisms across various conditions,including cancer,developmental disorders,and aging-associated *** this issue,we focus on topics related to single-cell methods,covering the following four aspects:(i)single-cell multi-omic sequencing technology;(ii)single-cell spatial technology;(iii)singlecell CRISPR screening technology;(iv)applications of single-cell technology.

关键词： expanded enable insight

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Single-cell omics: experimental workflow, data analyses and applications

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science China(Life sciences) 2025年第1期68卷 5-102页

作者： Fengying Sun Haoyan Li Dongqing Sun Shaliu Fu Lei Gu Xin Shao Qinqin Wang Xin Dong Bin Duan Feiyang Xing Jun Wu Minmin Xiao Fangqing Zhao Jing-Dong J.Han Qi Liu Xiaohui Fan Chen Li Chenfei Wang Tieliu Shi Department of Clinical Laboratory the Affiliated Wuhu Hospital of East China Normal University(The Second People’s Hospital of Wuhu City)Wuhu 241000China Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Key Laboratory of Spine and Spinal Cord Injury Repair and Regeneration(Tongji University) Ministry of EducationOrthopaedic DepartmentTongji HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji UniversityShanghai 200082China Frontier Science Center for Stem Cells School of Life Sciences and TechnologyTongji UniversityShanghai 200092China Translational Medical Center for Stem Cell Therapy and Institute for Regenerative Medicine Shanghai East HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji UniversityShanghai 200082China Research Institute of Intelligent Computing Zhejiang LabHangzhou 311121China Shanghai Research Institute for Intelligent Autonomous Systems Shanghai 201210China Center for Single-cell Omics School of Public HealthShanghai Jiao Tong University School of MedicineShanghai 200025China National Key Laboratory of Chinese Medicine Modernization Innovation Center of Yangtze River DeltaZhejiang UniversityJiaxing 314103China Center for Bioinformatics and Computational Biology Shanghai Key Laboratory of Regulatory Biologythe Institute of Biomedical Sciences and School of Life SciencesEast China Normal UniversityShanghai 200241China Beijing Institutes of Life Science Chinese Academy of SciencesBeijing 100101China Peking-Tsinghua Center for Life Sciences Academy for Advanced Interdisciplinary StudiesCenter for Quantitative Biology(CQB)Peking UniversityBeijing 100871China Zhejiang Key Laboratory of Precision Diagnosis and Therapy for Major Gynecological Diseases Women’s HospitalZhejiang University School of MedicineHangzhou 310006China Key Laboratory of Advanced Theory and Application in Statistics and Data Science-MOE School of StatisticsEast China Normal U

Cells are the fundamental units of biological systems and exhibit unique development trajectories and molecular *** exploration of how the genomes orchestrate the formation and maintenance of each cell,and control the cellular phenotypes of various organismsis,is both captivating and *** the inception of the first single-cell RNA technology,technologies related to single-cell sequencing have experienced rapid advancements in recent *** technologies have expanded horizontally to include single-cell genome,epigenome,proteome,and metabolome,while vertically,they have progressed to integrate multiple omics data and incorporate additional information such as spatial scRNA-seq and CRISPR ***-cell omics represent a groundbreaking advancement in the biomedical field,offering profound insights into the understanding of complex diseases,including ***,we comprehensively summarize recent advances in single-cell omics technologies,with a specific focus on the methodology *** overview aims to guide researchers in selecting appropriate methods for single-cell sequencing and related data analysis.

关键词： single-cell sequencing genome epigenome proteomics metabolomics multimodal spatial transcriptomics CRISPR screening

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Multi-Modal Multi-Kernel Graph Learning for Autism Prediction and Biomarker Discovery

IEEE Transactions on Computational Biology and Bioinformatic...

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IEEE Transactions on Computational Biology and bioinformatics 2025年第2期22卷 842-854页

作者： Jin Liu Junbin Mao Hanhe Lin Hulin Kuang Shirui Pan Xusheng Wu Shan Xie Fei Liu Yi Pan Hunan Provincial Key Lab on Bioinformatics School of Computer Science and Engineering Central South University Changsha China Xinjiang Engineering Research Center of Big Data and Intelligent Software School of software Xinjiang University Wulumuqi China Hunan Province Key Lab on Bioinformatics School of Computer Science and Engineering Central South University Changsha China School of Science and Engineering University of Dundee Dundee U.K. School of Information and Communication Technology Griffith University Gold Coast QLD Australia Shenzhen Health Development Research and Data Management Center Shenzhen China Faculty of Computer Science and Control Engineering Shenzhen University of Advanced Technology Shenzhen China Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen China

Graph learning-based multi-modal integration and classification is one of the most challenging tasks for disease prediction. To effectively offset the negative impact among modalities in the process of multi-modal integration and heterogeneous information extractions from graphs, we propose a novel method called Multi-modal Multi-Kernel Graph Learning (MMKGL). To solve the problem of negative impact among modalities, we propose a multi-modal graph embedding module to construct a multi-modal graph. Different from conventional methods that manually construct static graphs for all modalities, each modality generates a separate graph by adaptive learning, where a function graph and a supervision graph are introduced for optimization during the multi-graph fusion embedding process. We then propose a multi-kernel graph learning module to extract heterogeneous information from the multi-modal graph. The information in the multi-modal graph at different levels is aggregated by convolutional kernels with different receptive field sizes, followed by generating a cross-kernel discovery tensor for disease prediction. Our method is evaluated on the benchmark Autism Brain Imaging data Exchange (ABIDE) dataset and outperforms the state-of-the-art methods. In addition, discriminative brain regions associated with autism are identified by our model, providing guidance for the study of autism pathology.

关键词： Diseases Autism Random access memory data mining Kernel Electronic mail Training Neuroimaging Graph convolutional networks bioinformatics

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Mapping the Scientific Landscape of Integrated Scheduling Towards Industry 5.0 with A Bibliometric Analysis

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Procedia Computer science 2025年 253卷 84-93页

作者： Anak Agung Ayu Putri Ardyanti Zhiqiang Xie Andrea Stevens Karnyoto Bens Pardamean Ni Made Estiyanti School of Computer Science and Technology Harbin University of Science and Technology Harbin 150000 China Faculty of Information Technology and Design Primakara University Bali 80226 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program - Master of Computer Science Bina Nusantara University Jakarta Indonesia 11480 Doctoral School of Management and Business University of Debrecen Debrecen Hungary

关键词： integrated scheduling assembly job shop scheduling heuristic algorithm genetic algorithm bibliometric analysis

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Predicting the physiological effects of multiple drugs using electronic health record

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Computers in Biology and Medicine 2025年 184卷 109485-109485页

作者： Jeon, Junhyeok Hong, Eujin Kim, Jong-Yeup Lee, Suehyun Kim, Hyun Uk Daejeon34141 Korea Republic of Department of Biomedical Informatics College of Medicine Konyang University Daejeon35365 Korea Republic of Healthcare Data Science Center Konyang University Hospital Daejeon35365 Korea Republic of Department of Computer Engineering Gachon University Seongnam13120 Korea Republic of Graduate School of Engineering Biology KAIST Daejeon34141 Korea Republic of BioProcess Engineering Research Center and BioInformatics Research Center KAIST Daejeon34141 Korea Republic of

Various computational models have been developed to understand the physiological effects of drug-drug interactions, which can contribute to more effective drug treatments. However, they mostly focus on interactions of only two drugs, and do not consider the patient information. To address this challenge, we use publicly available electronic health record (EHR), MIMIC-IV, to develop machine learning models that predict the physiological effects of two or more drugs. This study involves extensive preprocessing of laboratory measurement data, prescription data and patient data. The resulting machine learning models predict potential abnormalities across 20 selected measurement items (e.g., concentrations of metabolites and blood cells) in the form of a sentence. Analysis of the model predictions showed that age, specific active pharmaceutical ingredients, and male/female appeared to be the most influential features. The model development process showcased in this study can be extended to other measurement items for a target EHR. © 2024 Elsevier Ltd

关键词： Electronic health record

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Ibaqpy: A scalable Python package for baseline quantification in proteomics leveraging SDRF metadata

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Journal of Proteomics 2025年 317卷

作者： Zheng, Ping Audain, Enrique Webel, Henry Dai, Chengxin Klein, Joshua Hitz, Marc-Phillip Sachsenberg, Timo Bai, Mingze Perez-Riverol, Yasset Chongqing Key Laboratory of Big Data for Bio Intelligence Chongqing University of Posts and Telecommunications Chongqing China Institute of Medical Genetics University Medicine Oldenburg Carl von Ossietzky University Oldenburg Germany The Novo Nordisk Foundation Center for Biosustainability Technical University of Denmark Lyngby Denmark State Key Laboratory of Proteomics Beijing Proteome Research Center National Center for Protein Sciences (Beijing) Beijing Institute of Life Omics Beijing China Program for Bioinformatics Boston University Boston United States Department of Computer Science Applied Bioinformatics University of Tübingen Tübingen Germany Institute for Bioinformatics and Medical Informatics University of Tübingen Tübingen Germany European Molecular Biology Laboratory European Bioinformatics Institute Wellcome Genome Campus Cambridge United Kingdom

Intensity-based absolute quantification (iBAQ) is essential in proteomics as it allows for the assessment of a protein's absolute abundance in various samples or conditions. However, the computation of these values for increasingly large-scale and high-throughput experiments, such as those using DIA, TMT, or LFQ workflows, poses significant challenges in scalability and reproducibility. Here, we present ibaqpy (https://***/bigbio/ibaqpy), a Python package designed to compute iBAQ values efficiently for experiments of any scale. Ibaqpy leverages the Sample and data Relationship Format (SDRF) metadata standard to incorporate experimental metadata into the quantification workflow. This allows for automatic normalization and batch correction while accounting for key aspects of the experimental design, such as technical and biological replicates, fractionation strategies, and sample conditions. Designed for large-scale proteomics datasets, ibaqpy can also recompute iBAQ values for existing experiments when an SDRF is available. We showcased ibaqpy's capabilities by reanalyzing 17 public proteomics datasets from ProteomeXchange, covering HeLa cell lines with 4921 samples and 5766 MS runs, quantifying a total of 11,014 proteins. In our reanalysis, ibaqpy is a key component in automating reproducible quantification, reducing manual effort and making quantitative proteomics more accessible while supporting FAIR principles for data reuse. Significance: Proteomics studies often rely on intensity-based absolute quantification (iBAQ) to assess protein abundance across various biological conditions. Despite its widespread use, computing iBAQ values at scale remains challenging due to the increasing complexity and volume of proteomics experiments. Existing tools frequently lack metadata integration, limiting their ability to handle experimental design intricacies such as replicates, fractions, and batch effects. Our work introduces ibaqpy, a scalable Python package that lev

关键词： Big data bioinformatics data integration Proteomics Quantification

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rcsb-api: Python Toolkit for Streamlining Access to RCSB Protein data Bank APIs: rcsb-api: Python Toolkit to Access *** APIs

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Journal of Molecular Biology 2025年 168970页

作者： Piehl, Dennis W. Vallat, Brinda Truong, Ivana Morsy, Habiba Bhatt, Rusham Blaumann, Santiago Biswas, Pratyoy Rose, Yana Bittrich, Sebastian Duarte, Jose M. Segura, Joan Bi, Chunxiao Myers-Turnbull, Douglas Hudson, Brian P. Zardecki, Christine Burley, Stephen K. Research Collaboratory for Structural Bioinformatics Protein Data Bank and the Institute for Quantitative Biomedicine Rutgers The State University of New Jersey Piscataway 08854 NJ United States Rutgers Cancer Institute Rutgers The State University of New Jersey New Brunswick 08901 NJ United States Research Collaboratory for Structural Bioinformatics Protein Data Bank San Diego Supercomputer Center University of California San Diego La Jolla 92093 CA United States Department of Chemistry and Chemical Biology Rutgers The State University of New Jersey Piscataway 08854 NJ United States Rutgers Artificial Intelligence and Data Science (RAD) Collaboratory Rutgers The State University of New Jersey Piscataway 08854 NJ United States

The Protein data Bank (PDB) was founded in 1971 as the first open-access digital data resource in biology to serve as the single global archive for three-dimensional (3D) macromolecular structure data. Current PDB holdings exceed 230,000 experimentally determined structures of proteins, nucleic acids, viruses, and macromolecular machines. The RCSB Protein data Bank *** research-focused web portal facilitates search, analyses, and visualization of every PDB structure along with more than one million Computed Structure Models from AlphaFold DB and the ModelArchive. It is powered by a set of publicly available Application Programming Interfaces (APIs) that both support *** users and provide programmatic access to PDB data. Given the breadth and levels of granularity encompassed in this rich data collection, efficiently accessing the information programmatically may be challenging for new users. RCSB PDB has developed a Python software package, rcsb-api, that facilitates easy and efficient use of RCSB PDB APIs within a Python environment. This software tool is designed to streamline access to the extensive corpus of data housed within the PDB, enabling researchers to search, retrieve, and analyze 3D biostructure data seamlessly. Its use will accelerate research in structural biology, molecular biology and biochemistry, drug discovery, and bioinformatics by providing more efficient tools for data integration and analysis. The new toolkit is available on GitHub (***/rcsb/py-rcsb-api) and published to the public Python package repository (PyPI) to foster wider usage and support basic and applied research in fundamental biology, biomedicine, and the energy sciences. © 2025 The Author(s)

关键词： bioinformatics FAIR principles RCSB Protein data Bank *** structural biology

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Biomedical data and AI

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science China Life sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

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