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An Open-Source Knowledge Graph Ecosystem for the Life sciences

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arXiv 2023年

作者： Callahan, Tiffany J. Tripodi, Ignacio J. Stefanski, Adrianne L. Cappelletti, Luca Taneja, Sanya B. Wyrwa, Jordan M. Casiraghi, Elena Matentzoglu, Nicolas A. Reese, Justin Silverstein, Jonathan C. Hoyt, Charles Tapley Boyce, Richard D. Malec, Scott A. Unni, Deepak R. Joachimiak, Marcin P. Robinson, Peter N. Mungall, Christopher J. Cavalleri, Emanuele Fontana, Tommaso Valentini, Giorgio Mesiti, Marco Gillenwater, Lucas A. Santangelo, Brook Vasilevsky, Nicole A. Hoehndorf, Robert Bennett, Tellen D. Ryan, Patrick B. Hripcsak, George Kahn, Michael G. Bada, Michael Baumgartner, William A. Hunter, Lawrence E. Computational Bioscience Program University of Colorado Anschutz Medical Campus AuroraCO80045 United States Department of Biomedical Informatics Columbia University Irving Medical Center New YorkNY10032 United States Computer Science Department Interdisciplinary Quantitative Biology University of Colorado Boulder BoulderCO80301 United States AnacletoLab Computer Science Department University of Milan 20122 Italy Intelligent Systems Program University of Pittsburgh PittsburghPA15260 United States Department of Physical Medicine and Rehabilitation School of Medicine University of Colorado Anschutz Medical Campus AuroraCO80045 United States Division of Environmental Genomics and Systems Biology Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Semanticly Ltd Athens Greece Department of Biomedical Informatics University of Pittsburgh School of Medicine PittsburghPA15206 United States Laboratory of Systems Pharmacology Harvard Medical School BostonMA02115 United States Division of Translational Informatics University of New Mexico School of Medicine AlbuquerqueNM87131 United States SIB Swiss Institute of Bioinformatics Basel Switzerland Berlin Institute of Health at Charité-Universitatsmedizin Berlin10117 Germany ELLIS European Laboratory for Learning and Intelligent Systems Germany Department of Biomedical Informatics University of Colorado School of Medicine AuroraCO80045 United States Data Collaboration Center Critical Path Institute 1840 E River Rd. Suite 100 TucsonAZ85718 United States Computer Electrical and Mathematical Sciences & Engineering Division Computational Bioscience Research Center King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia Department of Pediatrics University of Colorado School of Medicine AuroraCO80045 United States Janssen Research and Development RaritanNJ08869 United States Division of General Internal Medicine University of Colorado School of Medicine A

Translational research requires data at multiple scales of biological organization. Advancements in sequencing and multi-omics technologies have increased the availability of these data, but researchers face significant integration challenges. Knowledge graphs (KGs) are used to model complex phenomena, and methods exist to construct them automatically. However, tackling complex biomedical integration problems requires flexibility in the way knowledge is modeled. Moreover, existing KG construction methods provide robust tooling at the cost of fixed or limited choices among knowledge representation models. PheKnowLator (Phenotype Knowledge Translator) is a semantic ecosystem for automating the FAIR (Findable, Accessible, Interoperable, and Reusable) construction of ontologically grounded KGs with fully customizable knowledge representation. The ecosystem includes KG construction resources (e.g., data preparation APIs), analysis tools (e.g., SPARQL endpoints and abstraction algorithms), and benchmarks (e.g., prebuilt KGs and embeddings). We evaluated the ecosystem by systematically comparing it to existing open-source KG construction methods and by analyzing its computational performance when used to construct 12 large-scale KGs. With flexible knowledge representation, PheKnowLator enables fully customizable KGs without compromising performance or usability. © 2023, CC BY.

关键词： Ecosystems

Finding shortest and nearly shortest path nodes in large substantially incomplete networks

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arXiv 2022年

作者： Kitsak, Maksim Ganin, Alexander Elmokashfi, Ahmed Cui, Hongzhu Eisenberg, Daniel A. Alderson, David L. Korkin, Dmitry Linkov, Igor Faculty of Electrical Engineering Mathematics and Computer Science Delft University of Technology Delft Netherlands Network Science Institute Northeastern University BostonMA02115 United States Department of Systems and Information Engineering University of Virginia CharlottesvilleVA22904 United States U.S. Army Engineer Research and Development Center Contractor Concord MA01742 United States Simula Metropolitan Center for Digital Engineering Oslo Norway Bioinformatics and Computational Biology Program Worcester Polytechnic Institute WorcesterMA01609 United States Institute for Genomic Medicine Columbia University Medical Center New YorkNY United States Operations Research Department Naval Postgraduate School MontereyCA93943 United States Data Science Program Worcester Polytechnic Institute WorcesterMA01609 United States Computer Science Department Worcester Polytechnic Institute WorcesterMA01609 United States U.S. Army Engineer Research and Development Center Environmental Laboratory Concord MA01742 United States

Dynamic processes on networks, be it information transfer in the Internet, contagious spreading in a social network, or neural signaling, take place along shortest or nearly shortest paths. Unfortunately, our maps of most large networks are substantially incomplete due to either the highly dynamic nature of networks, or high cost of network measurements, or both, rendering traditional path finding methods inefficient. We find that shortest paths in large real networks, such as the network of protein-protein interactions (PPI) and the Internet at the autonomous system (AS) level, are not random but are organized according to latent-geometric rules. If nodes of these networks are mapped to points in latent hyperbolic spaces, shortest paths in them align along geodesic curves connecting endpoint nodes. We find that this alignment is sufficiently strong to allow for the identification of shortest path nodes even in the case of substantially incomplete networks. We demonstrate the utility of latent-geometric path finding in problems of cellular pathway reconstruction and communication security. Copyright © 2022, The Authors. All rights reserved.

关键词： Proteins

International Workshop on Applications of Probability and Statistics to biology,July 11-13,2019--In Honor of Professor Minping Qian’s 80th Birthday

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Quantitative biology 2020年第2期8卷 177-186页

作者： Minghua Deng Jianfeng Feng Hong Qian Lin Wan Fengzhu Sun Center for Quantitative Biology Peking UniversityBeijing 100871China LMAM Center for Statistical ScienceSchool of Mathematical SciencesPeking UniversityBeijing 100871China Institute of Science and Technology for Brain-inspired Intelligence Fudan UniversityShanghai 200433China School of Mathematical Sciences Fudan UniversityShanghai 200433China Centre for Computational Systems Biology Fudan UniversityShanghai 200433China Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence at Fudan University Ministry of EducationShanghai 200433China Department of Computer Science University of WarwickCoventryCV47ALUnited Kingdom Department of Applied Mathematics University of WashingtonSeattleWA 98195USA NCMIS Academy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing 100190China School of Mathematical Sciences University of Chinese Academy of SciencesBeijing 100049China Quantitative and Computational Biology Program University of Southern CaliforniaLos AngelesCA 90089USA

The International Workshop on Applications of Probability and Statistics to biology(APSB)was successfully held in Shanghai,China,July 11-13,*** workshop was hosted by the Institute of science and Technology for Brain-inspired Intelligence(ISTBI)at Fudan University,and in honor of the 80th birthday of *** Qian of Peking *** of the twenty eight speakers were former students or close collaborators of ***;and there were over eighty participants from all over China and United States.

关键词： Probability speakers ping

Multimodal Whole Slide Foundation Model for Pathology

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arXiv 2024年

作者： Ding, Tong Wagner, Sophia J. Song, Andrew H. Chen, Richard J. Lu, Ming Y. Zhang, Andrew Vaidya, Anurag J. Jaume, Guillaume Shaban, Muhammad Kim, Ahrong Williamson, Drew F.K. Chen, Bowen Almagro-Perez, Cristina Doucet, Paul Sahai, Sharifa Chen, Chengkuan Komura, Daisuke Kawabe, Akihiro Ishikawa, Shumpei Gerber, Georg Peng, Tingying Le, Long Phi Mahmood, Faisal Department of Pathology Mass General Brigham Harvard Medical School BostonMA United States Data Science Program Dana-Farber Cancer Institute BostonMA United States Cancer Program Broad Institute of Harvard and MIT CambridgeMA United States John A. Paulson School of Engineering and Applied Sciences Harvard University CambridgeMA United States Helmholtz Munich German Research Center for Environment and Health Munich Germany School of Computation Information and Technology Technical University of Munich Munich Germany Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology CambridgeMA United States Harvard-MIT Division of Health Sciences and Technology Massachusetts Institute of Technology CambridgeMA United States Department of Pathology Pusan National University Busan Korea Republic of Department of Pathology and Laboratory Medicine Emory University School of Medicine AtlantaGA United States Harvard Data Science Initiative Harvard University CambridgeMA United States Department of Systems Biology Harvard Medical School BostonMA United States Department of Preventive Medicine Graduate School of Medicine The University of Tokyo Tokyo Japan Division of Pathology National Cancer Center Exploratory Oncology Research & Clinical Trial Center Chiba Japan

The field of computational pathology has been transformed with recent advances in foundation models that encode histopathology region-of-interests (ROIs) into versatile and transferable feature representations via self-supervised learning (SSL). However, translating these advancements to address complex clinical challenges at the patient and slide level remains constrained by limited clinical data in disease-specific cohorts, especially for rare clinical conditions. We propose TITAN, a multimodal whole slide foundation model pretrained using 335,645 WSIs via visual self-supervised learning and vision-language alignment with corresponding pathology reports and 423,122 synthetic captions generated from a multimodal generative AI copilot for pathology. Without any finetuning or requiring clinical labels, TITAN can extract general-purpose slide representations and generate pathology reports that generalize to resource-limited clinical scenarios such as rare disease retrieval and cancer prognosis. We evaluate TITAN on diverse clinical tasks and find that TITAN outperforms both ROI and slide foundation models across machine learning settings such as linear probing, few-shot and zero-shot classification, rare cancer retrieval and cross-modal retrieval, and pathology report generation. The model is publicly accessible at https://***/mahmoodlab/TITAN © 2024, CC BY-NC-ND.

关键词： Self-supervised learning

*** - A plug-and-play solution for online systems medicine and network-based drug repurposing

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arXiv 2023年

作者： Maier, Andreas Hartung, Michael Abovsky, Mark Adamowicz, Klaudia Bader, Gary D. Baier, Sylvie Blumenthal, David B. Chen, Jing Elkjaer, Maria L. Garcia-Hernandez, Carlos Helmy, Mohamed Hoffmann, Markus Jurisica, Igor Kotlyar, Max Lazareva, Olga Levi, Hagai List, Markus Lobentanzer, Sebastian Loscalzo, Joseph Malod-Dognin, Noel Manz, Quirin Matschinske, Julian Mee, Miles Oubounyt, Mhaned Pico, Alexander R. Pillich, Rudolf T. Poschenrieder, Julian M. Pratt, Dexter Pržulj, Nataša Sadegh, Sepideh Saez-Rodriguez, Julio Sarkar, Suryadipto Shaked, Gideon Shamir, Ron Trummer, Nico Turhan, Ugur Wang, Ruisheng Zolotareva, Olga Baumbach, Jan Institute for Computational Systems Biology University of Hamburg Hamburg Germany Division of Orthopaedic Surgery Schroeder Arthritis Institute Data Science Discovery Centre Osteoarthritis Research Program Krembil Research Institute UHN Toronto Canada Data Science Discovery Centre for Chronic Diseases Krembil Research Institute University Health Network 60 Leonard Avenue 5KD-407 TorontoONM5T 0S8 Canada Department of Molecular Genetics University of Toronto TorontoON Canada The Donnelly Centre University of Toronto TorontoON Canada Department of Computer Science University of Toronto TorontoON Canada Princess Margaret Cancer Centre University Health Network TorontoON Canada The Lunenfeld-Tanenbaum Research Institute Mount Sinai Hospital TorontoON Canada TUM School of Life Sciences Technical University of Munich Munich Germany Erlangen91052 Germany Department of Medicine University of California San Diego 9500 Gilman Drive La Jolla CA92093 United States Department of Neurology Odense University Hospital Odense Denmark Institute of Clinical Research University of Southern Denmark Odense Denmark Institute of Molecular Medicine University of Southern Denmark Odense Denmark Barcelona08034 Spain Institute for Advanced Study Lichtenbergstrasse 2a GarchingD-85748 Germany Technical University of Munich Germany National Institute of Diabetes Digestive and Kidney Diseases BethesdaMD20892 United States Departments of Medical Biophysics and Computer Science University of Toronto Toronto Canada Institute of Neuroimmunology Slovak Academy of Sciences Bratislava Slovakia Heidelberg69120 Germany Heidelberg Germany European Molecular Biology Laboratory Genome Biology Unit Heidelberg69117 Germany Blavatnik School of Computer Science Tel-Aviv University Tel-Aviv Israel Heidelberg University Faculty of Medicine Heidelberg University Hospital Institute for Computational Biomedicine Bioquant Heidelberg Germany Department of Medicine Bri

In recent decades, the development of new drugs has become increasingly expensive and inefficient, and the molecular mechanisms of most pharmaceuticals remain poorly understood. In response, computational systems and network medicine tools have emerged to identify potential drug repurposing candidates. However, these tools often require complex installation and lack intuitive visual network mining capabilities. To tackle these challenges, we introduce ***, a platform that assists specialized computational medicine tools in becoming user-friendly, web-based utilities for drug repurposing. With just three lines of code, *** turns any systems biology software into an interactive web tool for modeling and analyzing complex protein-drug-disease networks. Demonstrating its broad adaptability, *** has been successfully integrated with 21 computational systems medicine tools. Available at https://***, *** has significant potential for streamlining the drug discovery process, allowing researchers to focus on essential aspects of pharmaceutical treatment research. © 2023, CC BY.

关键词： Data visualization

Enriching and Characterizing T-Cell Repertoires from 3' Barcoded Single-Cell Whole Transcriptome Amplification Products

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arXiv 2022年

作者： Jivanjee, Tasneem Ibrahim, Samira Nyquist, Sarah K. James Gatter, G. Bromley, Joshua D. Jaiswal, Swati Berger, Bonnie Behar, Samuel M. Christopher Love, J. Shalek, Alex K. Institute for Medical Engineering & Science Department of Chemistry Massachusetts Institute of Technology CambridgeMA United States Koch Institute for Integrative Cancer Research Massachusetts Institute of Technology CambridgeMA United States Ragon Institute of MGH MIT and Harvard CambridgeMA United States Broad Institute of MIT and Harvard CambridgeMA United States Massachusetts Institute of Technology CambridgeMA United States Program in Computational and Systems Biology Massachusetts Institute of Technology CambridgeMA United States Computer Science and Artificial Intelligence Laboratory Massachusetts Institute of Technology CambridgeMA United States Microbiology Graduate Program Massachusetts Institute of Technology CambridgeMA02139 United States Department of Microbiology and Physiological Systems University of Massachusetts Medical School WorcesterMA United States Department of Mathematics Massachusetts Institute of Technology CambridgeMA United States Department of Chemical Engineering Massachusetts Institute of Technology CambridgeMA United States

Antigen-specific T cells play an essential role in immunoregulation and many diseases such as cancer. Characterizing the T cell receptor (TCR) sequences that encode T cell specificity is critical for elucidating the antigenic determinants of immunological diseases and designing therapeutic remedies. However, methods of obtaining single-cell TCR sequencing data are labor and cost intensive, typically requiring both cell sorting and full length single-cell RNA-sequencing (scRNA-seq). New high-throughput 3' cell-barcoding scRNA-seq methods can simplify and scale this process;however, they do not routinely capture TCR sequences during library preparation and sequencing. While 5' cell-barcoding scRNA-seq methods can be used to examine TCR repertoire at single-cell resolution, doing so requires specialized reagents which cannot be applied to samples previously processed using 3' cell-barcoding methods. Here, we outline a method for sequencing TCRα and TCRβ transcripts from samples already processed using 3' cell-barcoding scRNA-seq platforms, ensuring TCR recovery at a single-cell resolution. In short, a fraction of the 3' barcoded whole transcriptome amplification (WTA) product typically used to generate a massively parallel 3' scRNA-seq library is enriched for TCR transcripts using biotinylated probes, and further amplified using the same universal primer sequence from WTA. Primer extension using TCR V-region primers and targeted PCR amplification using a second universal primer results in a 3' barcoded single-cell CDR3-enriched library that can be sequenced with custom sequencing primers. Coupled with 3' scRNA-seq of the same WTA, this method enables simultaneous analysis of single-cell transcriptomes and TCR sequences which can help interpret inherent heterogeneity among antigen-specific T cells and salient disease biology. The method presented here can also be adapted readily to enrich and sequence other transcripts of interest from both 3' and 5' barcoded scRNA-seq

关键词： RNA

The estrous cycle modulates hippocampal spine dynamics, dendritic processing, and spatial coding

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Neuron 2025年

作者： Wolcott, Nora S. Redman, William T. Karpinska, Marie Jacobs, Emily G. Goard, Michael J. Department of Molecular Cellular and Developmental Biology University of California Santa Barbara Santa Barbara 93106 CA United States Interdepartmental Graduate Program in Dynamical Neuroscience University of California Santa Barbara Santa Barbara 93106 CA United States Intelligent Systems Center Johns Hopkins University Applied Physics Laboratory Laurel 20723 MD United States Department of Computer Science University of California Santa Barbara Santa Barbara 93106 CA United States Department of Psychological & Brain Sciences University of California Santa Barbara Santa Barbara 93106 CA United States Ann S. Bowers Women's Brain Health Initiative University of California Santa Barbara Santa Barbara 93106 CA United States Neuroscience Research Institute University of California Santa Barbara Santa Barbara 93106 CA United States

Histological evidence suggests that the estrous cycle exerts a powerful influence on CA1 neurons in the mammalian hippocampus. Decades have passed since this landmark observation, yet how the estrous cycle shapes dendritic spine dynamics and hippocampal spatial coding in vivo remains a mystery. Here, we used a custom hippocampal microperiscope and two-photon calcium imaging to track CA1 pyramidal neurons in female mice across multiple cycles. Estrous cycle stage had a potent effect on spine dynamics, with spine density peaking during proestrus when estradiol levels are highest. These morphological changes coincided with greater somatodendritic coupling and increased infiltration of back-propagating action potentials into the apical dendrite. Finally, tracking CA1 response properties during navigation revealed greater place field stability during proestrus, evident at both the single-cell and population levels. These findings demonstrate that the estrous cycle drives large-scale structural and functional plasticity in hippocampal neurons essential for learning and memory. © 2025 The Author(s)

关键词： dendritic integration estradiol estrous cycle hippocampus multiphoton imaging neuroendocrine place cells spine morphology

Direct Comparison of RT-ddPCR and Targeted Amplicon Sequencing for SARS-CoV-2 Mutation Monitoring in Wastewater

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SSRN

SSRN 2022年

作者： Lou, Esther G. Sapoval, Nicolae McCall, Camille Bauhs, Lauren Carlson-Stadler, Russell Kalvapalle, Prashant Lai, Yanlai Palmer, Kyle Penn, Ryker Rich, Whitney Wolken, Madeline Ensor, Katherine B. Hopkins, Loren Treangen, Todd J. Stadler, Lauren B. Department of Civil and Environmental Engineering Rice University 6100 Main Street MS 519 HoustonTX77005 United States Department of Computer Science Rice University 6100 Main Street HoustonTX77005 United States Systems Synthetic and Physical Biology Graduate Program Rice University 6100 Main Street HoustonTX77005 United States Houston Health Department 8000 N. Stadium Dr. HoustonTX77054 United States Department of Statistics Rice University 6100 Main Street MS 138 HoustonTX77005 United States

Over the course of the COVID-19 pandemic, variants of SARS-CoV-2 have emerged that are more contagious and more likely to cause breakthrough infections. Targeted amplicon sequencing approach is a gold standard for identification and analysis of variants. However, when applied to environmental samples such as wastewater, it remains unclear how sensitive this method is for detecting variant-associated mutations in environmental samples. Here we directly compare a targeted amplicon sequencing approach (using ARTIC v3;hereafter referred to as sequencing) with RT-ddPCR quantification for the detection of five mutations that are characteristic of variants of concern (VoCs) in wastewater samples. In total, 547 wastewater samples were analyzed using both methods in parallel. When we observed positive mutation detections by RT-ddPCR, 42.6% of the detection events were missed by sequencing, due to negative detection or the limited read coverage at the mutation position. Further, when sequencing reported negative or depth-limited mutation detections, 26.7% of those events were instead positive detections by RT-ddPCR, highlighting the relatively poor sensitivity of sequencing. No or weak associations were observed between quantitative measurements of target mutations determined by RT-ddPCR and sequencing. These findings caution the use of quantitative measurements of SARS-CoV-2 variants in wastewater samples determined solely based on sequencing. © 2022, The Authors. All rights reserved.

关键词： SARS

Colloidal Structure and Proton Conductivity of the Gel within the Electrosensory Organs of Cartilaginous Fishes

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SSRN

SSRN 2021年

作者： Phillips, Molly Wheeler, Alauna Robinson, Matthew J. Leppert, Valerie Jia, Manping Rolandi, Marco Hirst, Linda S. Amemiya, Chris T. Department of Biology University of Washington SeattleWA98195 United States Department of Molecular and Cell Biology University of California Merced MercedCA95343 United States Department of Physics University of California Merced MercedCA95343 United States Department of Materials Science and Engineering University of California Merced MercedCA95343 United States Department of Electrical and Computer Engineering Baskin School of Engineering University of California Santa Cruz Santa CruzCA95064 United States Quantitative and Systems Biology Program University of California Merced MercedCA95343 United States

Cartilaginous fishes possess gel-filled tubular sensory organs called Ampullae of Lorenzini (AoL) that are used to detect electric fields. Although recent studies have identified various components of AoL gel, it has remained unclear how the molecules are structurally arranged and how their structure influences the function of the organs. Here we present the first structural description of AoL gel using microscopy and small angle x-ray scattering, revealing that the material is colloidal in nature. To assess the relative function of the gel’s protein constituents, we compared the microscopic structure, x-ray scattering, and proton conductivity properties of the gel before and after digestion with proteolytic enzymes. We discovered that while proteins were largely responsible for conferring the stiffness of the gel, their removal did not diminish proton conductivity. The findings described here lay the groundwork for more detailed studies into the specific interactions of molecules inside AoL gel at the nanoscale. © 2021, The Authors. All rights reserved.

关键词： Fish