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arXiv 2022年

作者： de Arruda Botelho Herr, Marius Graf, Michael Placzek, Peter König, Florian Bötte, Felix Stickel, Tyra Hieber, David Zimmermann, Lukas Slupina, Michael Mohr, Christopher Biergans, Stephanie Akgün, Mete Pfeifer, Nico Kohlbacher, Oliver Institute for Translational Bioinformatics University Hospital Tübingen Tübingen Germany Institute for Bioinformatics and Medical Informatics University of Tübingen Tübingen Germany Methods in Medical Informatics Department of Computer Science University of Tübingen Germany Applied Bioinformatics Department of Computer Science University of Tübingen Germany Medical Data Integration Center University Hospital Tübingen Tübingen Germany Medical Data Privacy and Privacy-Preserving ML on Healthcare Data Department of Computer Science University of Tübingen Germany

The need for data privacy and security – enforced through increasingly strict data protection regulations – renders the use of healthcare data for machine learning difficult. In particular, the transfer of data between different hospitals is often not permissible and thus cross-site pooling of data not an option. The Personal Health Train (PHT) paradigm proposed within the GO-FAIR initiative implements an’algorithm to the data’ paradigm that ensures that distributed data can be accessed for analysis without transferring any sensitive data. We present PHT-meDIC, a productively deployed open-source implementation of the PHT concept. Containerization allows us to easily deploy even complex data analysis pipelines (e.g, genomics, image analysis) across multiple sites in a secure and scalable manner. We discuss the underlying technological concepts, security models, and governance processes. The implementation has been successfully applied to distributed analyses of large-scale data, including applications of deep neural networks to medical image data. © 2022, CC BY.

关键词： bioinformatics

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Utilizing Semi-supervised Method in Predicting BRCA1 Pathogenicity Variants

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Procedia Computer Science 2023年 227卷 36-45页

作者： Alam Ahmad Hidayat Joko Pebrianto Trinugroho Rudi Nirwantono Digdo Sudigyo Bens Pardamean Department of Mathematics School of Computer Science Bina Nusantara University Indonesia 11480 Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program Bina Nusantara University Jakarta Indonesia 11480

Quantifying the effect of mutations in the BRCA1 gene is useful for understanding their clinical consequences on breast cancer. Machine learning models can be applied to predict the landscape of protein variant effects that might not be always accessible by experiments. In this work, we propose a simple semi-supervised learning method using a Gaussian mixture model to predict ∼90% of the unlabeled missense variants of the BRCA1 gene collected from the ClinVar database. High-quality embeddings are used as a feature of the protein sequences, extracted using the latest pre-trained transformer-based language protein model. A statistical test show that the protein embeddings are effective and robust for predicting pathogenicity. Further, the lower representations of the features are then fed into the semi-supervised model. The prediction performance of the model only for the labeled testing data achieves an AUC score and an accuracy of 79.27% and 71.58%, respectively. Using our defined pathogenic probability score, we find that ∼94% of variants in our unlabeled dataset are well-separated into either benign or pathogenic classes according to that scoring. Our scores obtain a moderate Spearman rank correlation with the results of established unsupervised variant effect models. Finally, our approach can potentially be developed for more accurate and biologically reliable predictions of the variant effects.

关键词： embeddings mutation effect language model protein sequence semi-supervised learning

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The OsWRKY72-OsAAT30/OsGSTU26 module mediates reactive oxygen species scavenging to drive heterosis for salt tolerance in hybrid rice

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Journal of Integrative Plant Biology 2024年第4期66卷 709-730页

作者： Citao Liu Bigang Mao Yanxia Zhang Lei tian Biao Ma Zhuo Chen Zhongwei Wei Aifu Li Ye Shao Gongye Cheng Lingling Li Wenyu Li Di Zhang Xiaoping Ding Jiangxiang Peng Yulin Peng Jiwai He Nenghui Ye Dingyang Yuan Chengcai Chu Meijuan Duan Hunan Provincial Key Laboratory of Stress Biology College of AgricultureHunan Agricultural UniversityChangsha 410128China State Key Laboratory of Hybrid Rice Hunan Hybrid Rice Research CenterChangsha 410125China College of Agriculture South China Agricultural UniversityGuangzhou 510642China State Key Laboratory of Wheat and Maize Crop Science Center for Crop Genome EngineeringCollege of AgronomyHenan Agricultural UniversityZhengzhou 450002China College of Horticulture Fujian Agriculture and Forestry UniversityFuzhou 350002China Department of Computational Medicine and Bioinformatics University of MichiganAnn ArborMI 48109 USA Biobin Data Science Co. Ltd.Changsha 410221China

Hybrid rice(Oryza sativa)generally outperforms its inbred parents in yield and stress tolerance,a phenomenon termed heterosis,but the underlying mechanism is not completely ***,we combined transcriptome,proteome,physiological,and heterosis analyses to examine the salt response of super hybrid rice Chaoyou1000(CY1000).In addition to surpassing the mean values for its two parents(mid-parent heterosis),CY1000 exhibited a higher reactive oxygen species scavenging ability than both its parents(over-parent heterosis or heterobeltiosis).Nonadditive expression and allele-specific gene expression assays showed that the glutathione S-transferase gene OsGSTU26 and the amino acid transporter gene OsAAT30 may have major roles in heterosis for salt tolerance,acting in an overdominant fashion in ***,we identified OsWRKY72 as a common transcription factor that binds and regulates OsGSTU26 and *** salt-sensitive phenotypes were associated with the OsWRKY72^(paternal)genotype or the OsAAT30^(maternal)genotype in core rice germplasm ***72^(paternal)specifically repressed the expression of OsGSTU26 under salt stress,leading to salinity sensitivity,while OsWRKY72^(maternal)specifically repressed OsAAT30,resulting in salinity *** results suggest that the OsWRKY72-OsAAT30/OsGSTU26 module may play an important role in heterosis for salt tolerance in an overdominant fashion in CY1000 hybrid rice,providing valuable clues to elucidate the mechanism of heterosis for salinity tolerance in hybrid rice.

关键词： allele-specific gene expression(ASE) heterosis hybrid rice nonadditive effect(NAE) salt tolerance transcriptome and proteome

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Discovering mycobacterial lectins as potential drug targets and vaccine candidates for tuberculosis treatment: a theoretical approach

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Journal of proteins and proteomics 2021年第2期12卷 93-104页

作者： Shobana Sundar Lokesh Thangamani Shanmughavel Piramanayagam Jeyakumar Natarajan Computational Biology Laboratory Department of Bioinformatics Bharathiar University Coimbatore Tamilnadu India. Data Mining and Text Mining Laboratory Department of Bioinformatics Bharathiar University Coimbatore Tamilnadu India.

M. tuberculosis proliferates within the macrophages during infection and they are bounded by carbohydrates in the cell wall, called lectins. Despite their surface localization, the studies on exact functions of lectins are unexplored. Hence, in our study, using insilico approaches, 11 potential lectins of Mtb was explored as potential drug targets and vaccine candidates. Initially, a gene interaction network was constructed for the 11 potential lectins and identified its functional partners. A gene ontology analysis was also performed for the 11 mycobacterial lectins along with its functional partners and found most of the proteins are present in the extracellular region of the bacterium and belongs to the PE/PPE family of proteins. Further, molecular docking studies were performed for two of the potential lectins (Rv2075c and Rv1917c). A novel series of quinoxalinone and fucoidan derivatives have been made to dock against these selected lectins. Molecular docking study reveals that quinoxalinone derivatives showed better affinity against Rv2075c, whereas fucoidan derivatives have good binding affinity against Rv1917c. Moreover, the mycobacterial lectins can interact with the host and they are considered as potential vaccine candidates. Hence, immunoinformatics study was carried out for all the 11 potential lectins. B-cell and T-cell binding epitopes were predicted using insilico tools. Further, an immunodominant epitope 1062SIPAIPLSVEV1072 of Rv1917c was identified, which was predicted to bind B-cell and most of the MHC alleles. Thus, the study has explored that mycobacterial lectins could be potentially used as drug targets and vaccine candidates for tuberculosis treatment.

关键词： Gene network analysis Immunoinformatics Molecular docking Mycobacterial lectins Mycobacterium tuberculosis

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PyPackIT: Automated Research Software Engineering for Scientific Python Applications on GitHub

arXiv

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arXiv 2025年

作者： Ariamajd, Armin de Castro, Raquel López-Ríos Volkamer, Andrea Data Driven Drug Design Faculty of Mathematics and Computer Sciences Saarland University Campus E2.1 Saarbrücken66123 Germany In silico Toxicology and Structural Bioinformatics Institute of Physiology Charité-Universitätsmedizin Berlin Charitéplatz 1 Berlin10117 Germany

The increasing importance of Computational Science and Engineering has highlighted the need for high-quality scientific software. However, research software development is often hindered by limited funding, time, staffing, and technical resources. To address these challenges, we introduce PyPackIT, a cloud-based automation tool designed to streamline research software engineering in accordance with FAIR (Findable, Accessible, Interoperable, and Reusable) and Open Science principles. PyPackIT is a user-friendly, ready-to-use software that enables scientists to focus on the scientific aspects of their projects while automating repetitive tasks and enforcing best practices throughout the software development life cycle. Using modern Continuous software engineering and DevOps methodologies, PyPackIT offers a robust project infrastructure including a build-ready Python package skeleton, a fully operational documentation and test suite, and a control center for dynamic project management and customization. PyPackIT integrates seamlessly with GitHub’s version control system, issue tracker, and pull-based model to establish a fully-automated software development workflow. Exploiting GitHub Actions, PyPackIT provides a cloud-native Agile development environment using containerization, Configuration-as-Code, and Continuous Integration, Deployment, Testing, Refactoring, and Maintenance pipelines. PyPackIT is an open-source software suite that seamlessly integrates with both new and existing projects via a public GitHub repository template at https://***/repodynamics/pypackit. © 2025, CC BY.

关键词： Integration testing

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Sentiment Analysis: Indonesia Netflix User's Comment Using Multiple Lexicon-Based Dictionaries

Sentiment Analysis: Indonesia Netflix User's Comment Using M...

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Intelligent Cybernetics Technology & Applications (ICICyTA), International Conference on

作者： Sebastianus Adi Santoso Mola Tiwuk Widiastuti Rosa V. K. Isabela Ohe Roma Andrea Stevens Karnyoto Bens Pardamean Faculty of Science and Engineering University of Nusa Cendana Kupang Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta Indonesia Computer Science Department BINUS Graduate Program - Master of Computer Science Bina Nusantara University Jakarta Indonesia

ISBN: (数字)9798331506490

ISBN: (纸本)9798331506506

A subscription movie streaming service from the United States, Netflix, has been present in Indonesia since 2016 and provides a wide variety of films without showing any single advertisements that can be viewed from anywhere, as long as there is access to the internet. Despite these advantages, many users have complained through the Google Play Store's comments column. Some of the common complaints include frequent buffering and connectivity issues, dissatisfaction with the limited selection of Indonesian movies, lack of subtitles for specific languages, or pricing concerns have also been raised. In this study developed two combined scenario methods using the InSet and SentiStrength_id dictionary to obtain better performance and compare them against independent InSet and SentiStrength_id. This study collected users' comments for the Netflix app in the Google Play Store as a dataset using web scraping techniques through the Google Collaboration tool. The dataset contains 3250 rows spanning the period from January 22, 2024, through June 6, 2024. To ensure proper processing of the text, data cleaning, lowercasing, normalization, tokenization, stemming, and stopwords removal are conducted. The results show that most user opinions are negative. The InSet dictionary has an accuracy of 92%, SentiStrength_id 78%, Combined scenario 1 is 87%, and scenario 2 reaches the highest among others which is 92.52%.

关键词： Sentiment analysis Dictionaries Accuracy Films Collaboration Pricing Motion pictures Tokenization Cleaning Internet

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Identification of Meteorological Parameters Affecting Dengue Hemorrhagic Fever Incidences 4

Identification of Meteorological Parameters Affecting Dengue...

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4th International Conference on Informatics, Multimedia, Cyber and Information System, ICIMCIS 2022

作者： Asadi, Faisal Trinugroho, Joko Pebrianto Hidayat, Alam Ahmad Rahutomo, Reza Pardamean, Bens Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia School of Information Systems Bina Nusantara University Information System Department Jakarta11480 Indonesia Binus Graduate Program Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665473279

Tropical disease is one of the infectious diseases that affect Indonesia. Many people die because of tropical diseases, such as dengue hemorrhagic fever (DHF), chikungunya, leprosy, lymphatic, and filariasis. The Indonesian government's lack of public policy is the main problem in treating and preventing tropical diseases. The paper aims to describe the analysis results of the incidence of DHF in Jakarta, Indonesia. The analysis used the DHF incidences data from the Jakarta Health service surveillance office representative and combined it with the meteorological parameters data. The meteorological parameters were collected from the Bureau of Meteorological Climatology and Geophysics (BMKG). The statistical analysis of this research used Pearson's correlation. The results show that the meteorological parameters affecting DHF incidences are temperature, humidity, and wind speed. © 2022 IEEE.

关键词： Correlation methods

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A Privacy-Preserving Framework for Collaborative Machine Learning with Kernel Methods

A Privacy-Preserving Framework for Collaborative Machine Lea...

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IEEE International Conference on Trust, Privacy and Security in Intelligent Systems and Applications (TPS-ISA)

作者： Anika Hannemann Ali Burak Ünal Arjhun Swaminathan Erik Buchmann Mete Akgün Dept. of Computer Science Leipzig University Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI) Dresden/Leipzig Germany Medical Data Privacy and Privacy-preserving Machine Learning (MDPPML) University of Tübingen Institute for Bioinformatics and Medical Informatics (IBMI) University of Tübingen Germany

It is challenging to implement Kernel methods, if the data sources are distributed and cannot be joined at a trusted third party for privacy reasons. It is even more challenging, if the use case rules out privacy-preserving approaches that introduce noise or entail significant computational overhead. An example for such a use case is machine learning on clinical data. To realize exact and efficient privacy preserving computation of kernel methods, we propose FLAKE, a Framework for Learning with Anonymized KErnels on horizontally distributed data. With our method, the data sources mask their data so that a Gram matrix can be computed without compromising privacy or utility. The Gram matrix allows to calculate many kernel matrices, which can be used to train kernel-based machine learning algorithms such as Support Vector Machines. We prove that our framework prevents an adversary from learning the input data or the number of input features under a semi-honest threat model. The conducted experiments on clinical, genomic, and image data provide confirmation that our approach is applicable across a wide range of settings. Additionally, our method outperforms comparable approaches in both computational efficiency and accuracy. Thus, FLAKE is a lightweight, applicable approach suitable for various use cases.

关键词：

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PDB-IHM: A System for Deposition, Curation, Validation, and Dissemination of Integrative Structures

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Journal of Molecular Biology 2025年第15期437卷 168963页

作者： Vallat, Brinda Webb, Benjamin M. Zalevsky, Arthur Tangmunarunkit, Hongsuda Sekharan, Monica R. Voinea, Serban Shafaeibejestan, Aref Sagendorf, Jared Hoch, Jeffrey C. Kurisu, Genji Morris, Kyle L. Velankar, Sameer Kesselman, Carl Burley, Stephen K. Berman, Helen M. Sali, Andrej 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 Department of Bioengineering and Therapeutic Sciences Quantitative Biosciences Institute (QBI) Department of Pharmaceutical Chemistry University of California San Francisco. San Francisco 94157 CA United States Information Sciences Institute Viterbi School of Engineering University of Southern California Los Angeles CA United States Biological Magnetic Resonance Data Bank Department of Molecular Biology and Biophysics University of Connecticut Farmington 06030-3305 CT United States Protein Data Bank Japan Institute for Protein Research Osaka University Osaka Suita 565-0871 Japan Electron Microscopy Data Bank European Molecular Biology Laboratory European Bioinformatics Institute Cambridge Hinxton CB10 1SD United Kingdom Protein Data Bank in Europe European Molecular Biology Laboratory European Bioinformatics Institute Cambridge Hinxton CB10 1SD United Kingdom Research Collaboratory for Structural Bioinformatics Protein Data Bank San Diego Supercomputer Center University of California 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 Department of Quantitative and Computational Biology University of Southern California Los Angeles 90089 CA United States

Structures of many large biomolecular assemblies are now being determined using integrative approaches. In these approaches, information derived from multiple experimental and computational methods is combined to compute three-dimensional structures of multi-protein complexes and other macromolecular machines. A standalone prototype data resource for integrative structures called PDB-Dev was built, based on recommendations of the Integrative and Hybrid Methods (IHM) Task Force of the Worldwide Protein data Bank (wwPDB). This effort included developing data standards and software tools for collecting, curating, validating, visualizing, archiving, and disseminating integrative structures that span diverse spatiotemporal scales and conformational states. Mechanisms have been created to validate integrative structures based on the experimental data underpinning them. Building upon this foundational framework, PDB-Dev has been further expanded to handle large dynamic macromolecular systems and integrative structures that combine, for example, experimental restraints with atomic coordinates computed by machine learning algorithms. data standards and supporting tools have also been extended to capture information about biomolecular dynamics, such as conformational transitions and related kinetic data derived from biophysical methods. Recently, PDB-Dev was unified with the PDB archive and rebranded as PDB-IHM (***), further promoting FAIR (Findable, Accessible, Interoperable, and Reusable) principles of data stewardship for integrative structural biology. © 2025 The Author(s)

关键词： IHMCIF integrative modeling PDB PDBx/mmCIF structure validation

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Identifying Important Usernames in 'Biofarma' Conversation using Twitter Network Analysis 7

Identifying Important Usernames in 'Biofarma' Conversation u...

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7th International Conference on Information Management and Technology, ICIMTech 2022

作者： Rahutomo, Reza Jariyah, Ainun Trinugroho, Joko Pebrianto Pardamean, Bens School of Information Systems Bina Nusantara University Information Systems Department Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia BINUS Graduate Program-Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (数字)9781665450904

ISBN: (纸本)9781665450904

This study analyzed interactions between Twitter users in conversations regarding Indonesia's state-owned vaccine manufacturer 'Biofarma' in 2021. The primary objective of this study is to identify Key Opinion Leaders (KOL) due to the need of authentic and trustworthy persona in social media. A technique called network centrality was employed in this research alongside four centrality measurements, namely degree of centrality, eigenvector centrality, betweenness centrality, and closeness centrality. Focused on using a reply network interaction dataset, the research discovered several important usernames with different roles that enlivened the conversation and have a potential for social media marketing optimization. © 2022 IEEE.

关键词： Marketing

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