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• Reengineering the Basic Education Instructional Delivery and Its Underlying Governance Issues in the New Normal Learning Environment
  This article explores and contextualizes the process of reengineering and the paradigm of good governance as applied to the Department of Education’s learning continuing policies and strategies to cope with the new normal. Continuing education has been a chall…
  preprints 2023 置信度 0.74
• Digital Healing: Public Sentiments towards Electronic Health Services in Bangladesh
  Abstract The study aimed to assess the public perception about the prevalence, satisfaction, and challenges of electronic health (e-health) services in Bangladesh. An online survey with a self-administered structured interview was conducted with 150 respondent…
  preprints 2023 置信度 0.74
• A Wearable Low-cost Muscle Activated Switch for Wireless Control for the Physically Challenged Patients
  Background: To control the environmental conditions of the living place and to use the electrical appliances and computers etc. are one of the major challenges for the physically disabled persons and elderly people. The surface electro myography (sEMG) is empl…
  preprints 2021 置信度 0.74
• Thermal selection shifts genetic diversity and performance in blue mussel juveniles
  Mussels from the genus Mytilus, key inhabitants of the benthos, are important for the aquaculture industry and one of the most sustainable sources of animal protein available. Species within the Mytilus edulis complex ( M. edulis, M. galloprovincialis and M. t…
  preprints 2024 置信度 0.74
• A Digital Privacy Divide: How Privacy Concerns Reinforce Inequalities Online
  A substantial body of research has failed to find a clear and direct relationship between privacy attitudes and behavior. Concerns over computers, the internet and privacy do not clearly translate to the behavior of users, giving rise to the idea of a privacy …
  preprints 2022 置信度 0.74
• Lived experience and students' understanding of the feeling of discrimination in e-learning education
  Background: Virtual and e-learning have taken on a more prominent role since the inception of the coronavirus. One of the disadvantages that are less addressed is the feeling of discrimination in this type of education. So, this study aims to explain nursing s…
  preprints 2022 置信度 0.74
• Urban-rural differences in factors associated with smartphone addiction among preschoolers in Dhaka district, Bangladesh: a cross-sectional investigation
  Abstract Background: Children are increasingly becoming addicted to smartphones and screens, which is raising concerns about their physical and mental wellbeing. This study aimed to assess urban-rural differences in the prevalence and correlates of smartphone …
  preprints 2024 置信度 0.74
• Coalitions of Care: Strategies for Expanding Substantive Urban Citizenship in U.S Cities During the Covid-19 Pandemic
  In this paper we investigate and analyze the elevation of localized practices of migrant belonging, social inclusion and refuge in U.S. cities during the COVID-19 pandemic using the lens of citizenship rights and evolution as proposed by T.H. Marshall. While M…
  preprints 2023 置信度 0.74
• The Impact of Technological Progression on Impoverished Countries
  During mid-2023, United Nations Secretary-General António Gutterres warns that almost 80 years following the end of World War Two, “ the global financial architecture is outdated, dysfunctional, and unjust. It is no longer capable of meeting the needs of the 2…
  preprints 2023 置信度 0.74
• Trends in non-daily cigarette smoking in England, 2006-2024
  Background: Cigarette smoking is incredibly harmful, even for people who do not smoke every day. This study aimed to estimate trends in non-daily smoking in England between 2006 and 2024, how these differed across population subgroups, and to explore changes i…
  preprints 2024 置信度 0.74
• COVID-19 and Mental Health in Ghana
  Abstract This study was conducted to investigate the impact of the corona virus pandemic on the mental health of Ghanaians. The study is a cross-sectional survey that employed quantitative analytical tools. Data was collected via google forms regarding the fir…
  preprints 2023 置信度 0.74
• Technostress and remote Virtual work environment among University Staff Members: A cross-sectional study
  Abstract Background Technostress during the COVID-19 pandemic has become more prevalent as a result of the global preventive measures applied to limit the spread of infection. These measures included remote working from home in both public and private organiza…
  preprints 2021 置信度 0.74
• A Pilot Study Exploring Michigan-Based Medical Providers’ Perspectives of Telemedicine
  Aim: This work aims to uncover differences between users and non-users of telemedicine and provider perspectives about what types of medical visits work well in telemedicine and what procedures must take place during in-person medical visits, and potential fac…
  preprints 2023 置信度 0.74
• Digital Economy in the Post-COVID Period
  Without a doubt, the COVID pandemic has made significant changes in consumer behavior, further strengthening the transition of the global system from the classical economy to the digital economy. In the context of the pandemic, consumer behavior has become eve…
  preprints 2021 置信度 0.74
• Predicting vertical ground reaction forces from 3D accelerometry using reservoir computers leads to accurate gait event detection
  Accelerometers are low-cost measurement devices that can readily be used outside the lab. However, determining isolated gait events from accelerometer signals, especially foot-off events during running, is an open problem. We outline a two-step approach where …
  preprints 2022 置信度 0.74
• Covid-19 has turned things upside down: e-learning in Bukavu city in the Democratic Republic of the Congo
  Abstract In the Democratic Republic of Congo (DRC), e-learning is a new concept for academic institutions. Covid-19 has reignited the debate about using Information and Communication Technology (ICT) within institutions. Technology is evolving exponentially, a…
  preprints 2022 置信度 0.74
• Blink Rate Variability as a Measure of Computer Vision Syndrome
  Due to the COVID-19 pandemic and working from home with portable devices, we are spending a longtime on the device screen. Prolonged focus on devices like computer screens, tablets, e-readers, and cellphones – Video Display Terminals (VDTs) has been linked wit…
  preprints 2022 置信度 0.74
• Impacts of In-Person School Days on Student Outcomes and Inequality: Evidence from Korean High Schools During the Pandemic
  This study examines the one-year impacts of in-person schooling on high school students' outcomes during the COVID-19 pandemic in South Korea. Using high-quality administrative data and a student survey, the study finds that in-person schooling does not signif…
  preprints 2023 置信度 0.74
• How to Remedy Post Covid Pandemic Setbacks in Bridging the Digital Divide
  Quality of life challenges, presented by the Covid-19 pandemic, emphasized the importance in achieving progress in making access to voice and broadband data services widespread and affordable. The virus forced nearly everyone to shelter in place, and to rely o…
  preprints 2023 置信度 0.74
• E-Commerce Law
  This is a brief report about the development of e commerce laws in India to maintain the good faith of consumers in the online market. E commerce market has seen a steep upward slope for over a decade and it even experienced a boom due to the recent COVID-19 p…
  preprints 2023 置信度 0.74
• Socioeconomic Inequalities in Ideal Cardiovascular Health in Kenya: A Decomposition Analysis
  Abstract Understanding the magnitude and determinants of socioeconomic inequalities in ideal cardiovascular health (iCVH) is critical for informing targeted cardiovascular disease (CVD) prevention interventions in Kenya. This study assessed the socioeconomic i…
  preprints 2024 置信度 0.74
• Why Lawyers Should Write for the Digital Reader
  The legal profession has been shifting from paper to digital, a trend accelerated by the COVID-19 pandemic. Lawyers no longer have a choice about incorporating technology into their practice. Written communication is a core lawyering skill: in many ways, to be…
  preprints 2023 置信度 0.74
• Analysis of E-Learning Implementation in Christian Religious Education Learning at Toraja State Christian Institute of Religion
  The purpose of this study is to examine the Challenges of E-Learning Implementation in the Learning Process at Toraja State Christian Institute (IAKN) in the Department of Christian Religious Education. This research adopts a qualitative survey or observation …
  preprints 2023 置信度 0.74
• STEM Living Roof Garden (Building Heat) Rooftop Garden
  Level: Grade 5 Lesson Duration: 2 periods (50 minutes each) Lesson Objectives: • Students will examine the heating issue in their primary building (urban heat island effect). • Students will investigate how rooftop gardens lower the maximum surface temperature…
  preprints 2021 置信度 0.74
• Creating a Digital Bridge: Lessons and Policy Implications from a Technology Access and Distribution Program for Low-income Job Seekers
  Lower income households, significantly less likely to have a computer or internet at home, were disproportionately impacted by the historic job losses in the Spring of 2020. In response, a Seattle-based workforce development nonprofit in partnership with the C…
  preprints 2021 置信度 0.74
• Sleep hygiene and sleep quality in Iranian adolescents during the COVID-19 pandemic
  Objectives: Sleep is one of the issues that attracted the attention of researchers during the COVID-19 pandemic. Researchers focused their studies on the prevalence of sleep disorders, sleep quality, and sleep duration. However, they paid less attention to sle…
  preprints 2022 置信度 0.74
• Using Technology: A Social-Emotional Perspective to Teaching Ells
  This study derives from my experiences teaching ESL classes during COVID-19. The purpose of this investigation is to explore the experiences of middle school ELLs taking classes online, their challenges, and how SEL can be adequately optimized to promote acade…
  preprints 2023 置信度 0.74
• Socioeconomic and academic consequences of COVID-19 pandemic on medical students from the university of Rwanda
  Introduction: Little is known about the impact of the COVID-19 pandemic on the life of university students in Sub Saharan Africa (SSA). The objective of this study was to evaluate the socioeconomic and academic consequences of COVID-19 pandemic on medical stud…
  preprints 2023 置信度 0.74
• Normal table of postembryonic zebrafish development: Staging by externally visible anatomy of the living fish
  The zebrafish is a premier model organism yet lacks a system for assigning postembryonic fish to developmental stages. To provide such a staging series, we describe postembryonic changes in several traits that are visible under brightfield illumination or thro…
  openalex David M. Parichy, Michael R. Elizondo, Margaret G. Mills, Tiffany N. Gordon 等 2009-11-04 置信度 0.72 BiologyZebrafishFish <Actinopterygii>Developmental MilestoneSwim bladder
• The Living Guide of Machine Learning for Particle Physics
  We started the Living Review of Machine Learning for Particle Physics (HEP-ML Living Review) in 2020 as a community-maintained, near-comprehensive bibliography of machine learning in particle physics. The field was then growing faster than any single researche…
  arxiv Claudius Krause, Ramon Winterhalder, Matthew Feickert, Benjamin Nachman 2026-08-10T12:32:29Z 置信度 0.78 hep-phhep-exhep-lathep-thphysics.data-an
• Design principles of neuromorphic computing using genetic circuits
  Cells have evolved to sense a wide range of input combinations and integrate those signals through signaling pathways to produce context-specific responses, such as differentiation, cell-type specification, and patterning. To replicate this information-process…
  preprints 2025 置信度 0.74
• Food Vector v1.0: Quantum-Enhanced Molecular Screening Platform for Protein-Targeted Compound Discovery
  Food Vector v1.0 is a computational platform that screens food-derived bioactive compounds against therapeutic protein targets using quantum-mechanical molecular representations. The platform integrates four computational stages: (1) data ingestion from FooDB,…
  datacite Gupta, Ravi 2026 置信度 0.66 quantum-classical computingmolecular screeningHamiltonian DIFF vectorsfood-derived compoundsprotein conformational rescue
• Quantum Computing Approach to Atomic and Molecular Three-Body Systems
  datacite Karr, Jean-Philippe, DEMATTOS-NOGUEIRA, Hugo, Haidar, Mohammad 2025 置信度 0.66
• AGENT 196 : From Math to Molecules - How We Designed a Room-Temperature Qubit Using Knot Theory
  EXECUTIVE SUMMARY We present Agent 196, a computationally validated family of nine silicon-phosphorus-based molecular variants derived systematically from mathematical topological invariants. Through semi-empirical quantum chemistry (MOPAC PM6) and molecular d…
  datacite Oo, Myo 2026 置信度 0.66
• VU Bioinformatics/NGS Suite: GO Term Enrichment Bubble Plot Generator
  VU Bioinformatics/NGS Suite: GO Term Enrichment Bubble Plot Generator What is this work about? This work is part of a research project that investigates the biological processes associated with genes identified through network-based enrichment analysis. Gene O…
  datacite Adiga, Usha, Vasishta, Sampara, Adiga, Sachidananda 2026 置信度 0.66
• Interaction-Range-Controlled Crossover from First-Order to Continuous Melting in Two-Dimensional Diplon Crystals — Code and Data
  This deposit accompanies the manuscript: P. S. Branicio, Interaction-Range-Controlled Crossover from First-Order to Continuous Melting in Two-Dimensional Diplon Crystals (2026). It contains the simulation/analysis/plotting code and the numerical data required …
  datacite Branicio, Paulo 2026 置信度 0.66
• ProteinAligner
  ProteinAligner is an innovative multimodal protein representation framework that integrates structural, sequential, and textual data into a unified embedding space. It employs three distinct encoding pathways for the amino acid sequence, the 3D structure, and …
  datacite Guo, Han, Li, Zhang 2026 置信度 0.66
• luciacasc/TD_model: TD Coupling Model v1.0.0 - Initial Release
  TD Coupling Model v1.0.0 First public release of td-coupling-model, a Python package for computing electromagnetic coupling between molecular and plasmonic excitations using transition densities and an FFT-based Coulomb solver. Features Build and diagonalize t…
  datacite Lucille 2026 置信度 0.66
• Li-Chia-ching/Polyploid-GeneFamily-AI-Pipeline: v1.0.0: Initial Release - The Dry-to-Wet Lab Automation Bridge
  We are thrilled to announce the official v1.0.0 release of the Polyploid Gene Family & Seamless Cloning AI Pipeline. This initial release establishes a fully automated, AI-driven workflow that seamlessly connects bioinformatics analysis (dry lab) with experime…
  datacite Jiaqing Li 2026 置信度 0.66
• Light-Driven Dynamics in Molecular Aggregates: Energy Transfer and Charge-Separation Processes
  Converting light into usable chemical or electrical energy remains a central challenge for a clean and sustainable future. Nature uses photosynthesis in sophisticated molecular architectures to accomplish this process, whereas most human-made organic photovolt…
  datacite Trepl, Thomas 2026 置信度 0.66 Light harvestingEnergy transferCharge separationElectronic structureElectronic excitations
• <strong>A Continuous-Space Analytical Framework for Committor Functions from Molecular Dynamics</strong>
  Many biomolecular processes are governed by rare transitions between metastable states on complex free-energy landscapes. The committor function, the probability that a trajectory initiated from a given configuration reaches one metastable state before another…
  datacite Xuhui Huang, Siqin Cao 2026 置信度 0.66 Chemical sciences
• WellRTSim: A MATLAB Wellbore Reactive Transport Simulator
  WellRTSim is a MATLAB simulator for mineral scaling in geothermal wells. It couples transient one-dimensional two-phase wellbore flow to multi-mineral equilibrium and kinetic geochemistry through PHREEQC, and feeds the growing scale back into the conduit geome…
  datacite Melnik, Oleg 2026 置信度 0.66 geothermal wellwellbore simulationreactive transporttwo-phase flowdrift-flux model
• Loom: Multi-Region Analysis of Spatial Transcriptomics with Local Neighborhoods and Global Trajectories
  We present Loom, a spatial transcriptomics (ST) visual computing system to support the analysis of pseudo-temporal trajectories, comparative investigation across samples and regions of interest, and the examination of spatially structured processes within loca…
  datacite Zhao, Siyuan, Nipu, Nafiul, Fathollahian, Hossein, Karginova, Olga 等 2026 置信度 0.66 Quantitative Methods (q-bio.QM)Human-Computer Interaction (cs.HC)FOS: Biological sciencesFOS: Computer and information sciences
• Molecular g-Tensors From Spin-Orbit Quasidegenerate N-electron Valence Perturbation Theory: Benchmarks, Intruder-State Mitigation, and Practical Guidelines
  Accurate prediction of molecular g-tensors for open-shell systems requires a balanced treatment of multireference electron correlation and relativistic spin-orbit coupling. Here, we develop and benchmark spin-orbit quasidegenerate second-order N-electron valen…
  datacite Chiang, Nicholas Yiching, Majumder, Rajat, Sokolov, Alexander Yu. 2026 置信度 0.66 Chemical Physics (physics.chem-ph)FOS: Physical sciences
• Symplectic Optimization on Bosonic Gaussian States
  Computing bosonic Gaussian ground states via variational optimization is challenging because the covariance matrices must satisfy the uncertainty principle, rendering constrained or Riemannian optimization costly, delicate, and thus difficult to scale, particu…
  datacite Willby, Christopher, Hashizume, Tomohiro, Crain, Jason, Jaksch, Dieter 2026 置信度 0.66 Quantum Physics (quant-ph)FOS: Physical sciences
• Analytical Nuclear Gradients and Hessians on Quantum Hardware via Orbital-Optimized VQE with Error Mitigation
  Nuclear gradients and Hessians are fundamental quantities in computational chemistry, essential for a wide range of applications including geometry optimization, vibrational spectroscopy, and molecular property calculations. In this work, we present their anal…
  datacite Hernandez, Renato Olarte, Ziems, Karl Michael, Kjellgren, Erik, Kongsted, Jacob 等 2026 置信度 0.66 Chemical Physics (physics.chem-ph)Quantum Physics (quant-ph)FOS: Physical sciences
• Optimal strategies for shadow tomography with limited resources
  Shadow tomography addresses the task of efficiently predicting many expectation values of an unknown quantum state from randomized measurements on comparatively few copies. Existing analyses promise large scaling advantages, but the optimal strategies realizin…
  datacite Xu, Zhen-Peng, Ye, Qi, Wang, Jie, Koßmann, Gereon 等 2026 置信度 0.66 Quantum Physics (quant-ph)FOS: Physical sciences
• Chemical potentials from structure factors: I. Neutral multi-component mixtures
  The chemical potentials of multi-component mixtures underlie many physical and chemical phenomena, but remain challenging to compute. The S0 method enables the computation of chemical potentials from equilibrium molecular dynamics simulations, by leveraging th…
  datacite Savoj, Roya, Wang, Xiaoyu, Ahmed, Musahid, Cheng, Bingqing 2026 置信度 0.66 Chemical Physics (physics.chem-ph)Soft Condensed Matter (cond-mat.soft)Statistical Mechanics (cond-mat.stat-mech)Computational Physics (physics.comp-ph)FOS: Physical sciences
• Leveraging generative models to assist Monte Carlo sampling
  Sampling high-dimensional probability distributions is a central task in scientific computing, with applications ranging from Bayesian inference to statistical physics and molecular simulation. Despite decades of methodological developments, two major challeng…
  datacite Gabrié, Marylou 2026 置信度 0.66 Machine Learning (stat.ML)Disordered Systems and Neural Networks (cond-mat.dis-nn)Statistical Mechanics (cond-mat.stat-mech)Machine Learning (cs.LG)Computational Physics (physics.comp-ph)
• VRE-Language
  The VRE Language package includes a family of domain-specific languages (DSLs).Originally it has been developed to be used in a Virtual Research Environment (VRE)in VirtMat projects. Currently, the VRE Language family includes two members: textS: scientific co…
  datacite Kondov, Ivan, Cortés Mejía, Rodrigo, Schraivogel, Thomas, Müller, Marvin 等 2026 置信度 0.66 Materials ScienceParserDomain-Specific LanguageScientific ComputingHigh-Performance Computing
• Simulation dataset and scripts - Multispecies Mixtures: An Individual-Centered Quantitative Genetic Framework for Complex Plant Neighborhoods
  This dataset accompanies a publication on the estimation of indirect genetic effects (IGE) in intercropping systems, specifically in a design associating durum wheat (Triticum durum) and alfalfa (Medicago sativa). It gathers all simulation and analysis code, t…
  datacite SALAS, Nicolas, Montazeaud,Germain, Bourke, Peter, Baranger, Alain 等 2026 置信度 0.66
• Exascale-Efficient Optimization for Variational Quantum Eigensolvers - Codes and Data
  This repository contains the full implementation supporting the paper "Exascale-Efficient Optimization for Variational Quantum Eigensolvers Using Fractal-Based Decomposition" (El-Khadiri, Cruz-Duarte, and Talbi, University of Lille / CRIStAL / Inria). Contents…
  datacite Mahmoud El-Mehdi, El-Khadiri, Cruz-Duarte, Jorge M., Talbi, El-ghazali 2026 置信度 0.66
• Stochastic Evaluation of Exciton-Exciton Annihilation Rate in 2D Molecular Aggregates
  Exciton-exciton annihilation (EEA) is a process by which two excitons combine to form a single high energy excitation. In molecular chromophore aggregates EEA is governed by microscopic two-exciton coherence that depends on long-range coupling and supramolecul…
  datacite Chengyu Kuang, Daniel Neuhauser, Justin Caram, Dimitri Bazile 等 2026 置信度 0.66 Physical sciences
• QForge Applications: A Unified Problem-to-Evidence Framework for Industrial Optimization, Molecular Simulation, Finance, Cybersecurity, and Quantum Machine Learning
  Quantum-computing application studies often stop at the implementation of an isolated circuit or the solution of a small demonstration problem. Industrial adoption requires a more complete engineering process involving problem formulation, quantum encoding, al…
  datacite QInsight Labs 2026 置信度 0.66
• Molecular State Synchronization (MSS): Principles, Mathematical Modeling, and Applications in Energy and Information Processing
  Molecular State Synchronization (MSS) represents an emerging paradigm in molecular engineering and chemical physics, focusing on the cooperative behavior of large ensembles of molecules maintaining synchronized state transitions. Drawing inspiration from macro…
  datacite Zhang, Jincheng 2026 置信度 0.66
• Atomic Chemical Scheduling System (ACSS): A Formal Framework for Optimizing Complex Molecular Synthesis via Atomic Task Scheduling
  Complex chemical synthesis remains one of the most challenging bottlenecks in modern molecular engineering, materials science, and pharmaceutical development. Traditional retrosynthetic analysis and heuristic reaction planning often rely on empirical trial-and…
  datacite Zhang, Jincheng 2026 置信度 0.66
• Atomic Boundary Programming (ABP): Theoretical Framework and Smart Materials Applications
  This paper introduces Atomic Boundary Programming (ABP), a paradigm shift in materials science that moves beyond traditional bulk synthesis by actively engineering, programming, and controlling both internal and external molecular boundaries. Rather than treat…
  datacite Zhang, Jincheng 2026 置信度 0.66
• Postmodern Physics of Hamzah Information.(136)
  تحلیل بنیادین و بازنویسی تانسوریِ «پیچیدگی کوانتومی و رمزنگاری مبتنی بر شبکه (Lattice-based Cryptography)» در چارچوب فیزیک اطلاعات حمزه (HIP-1155) بر اساس پروتکل جامع ۱۰ مرحله‌ای ۱. مقدمه: پارادوکسِ فاجعه رشد نمایی پیچیدگی و بن‌بست الگوریتم‌های رمزنگاری پساکوا…
  datacite HAMZAH, SEYED RASOUL 2026 置信度 0.66
• Atomic Chemical Regulation Network (ACRN): Intrinsic Information Processing and Regulation in Real Atomic Systems
  Contemporary artificial neural networks rely on abstract software algorithms implemented on rigid silicon hardware, leading to severe thermodynamic and architectural bottlenecks. This paper introduces the Atomic Chemical Regulation Network (ACRN) framework, wh…
  datacite Zhang, Jincheng 2026 置信度 0.66
• Molecular Structural Phase Computing: Principles, Architecture, and Mathematical Formulation
  The paradigm of conventional silicon-based computing is increasingly constrained by fundamental physical limits, including thermal dissipation, quantum tunneling effects, and scaling barriers. This paper introduces Molecular Structural Phase Computing (MSPC), …
  datacite Zhang, Jincheng 2026 置信度 0.66
• AnchorR: A QuPath and R interface for collaborative exploration of spatial transcriptomics and histology
  ABSTRACT Single-cell spatial transcriptomics can connect molecular cell states with tissue morphology, but this promise depends on accurate registration to histopathology. In serial sections, however, tissue borders often differ because of sectioning artifacts…
  preprints 2026 置信度 0.74
• Understanding of dental material Triethylene Glycol Dimethacrylate (TEGDMA) using molecular dynamics method
  Abstract Context: Molecular dynamics studies have been conducted to investigate the behavior, structure, and interactions of TEGDMA at the molecular level. These studies provide valuable insights into the properties and characteristics of TEGDMA, aiding in the…
  preprints 2026 置信度 0.74
• InSilico-K digital twin platform for optimizing neoadjuvant regimens and surgical de-escalation in lung cancer
  Abstract This study establishes the InSilico-K digital twin platform, designed to evaluate neoadjuvant therapeutic combinations to enable surgical de-escalation for early-stage EGFR-mutated non-small cell lung cancer. Integrating structural molecular binding m…
  preprints 2026 置信度 0.74
• Joint enzyme-reaction retrieval and catalytic optima prediction via multimodal fusion
  Motivation Enzyme-reaction retrieval is increasingly used to prioritize candidate biocatalysts for experimental follow-up, where useful recommendations should indicate not only whether an enzyme can catalyze a target reaction but also under which pH and temper…
  preprints 2026 置信度 0.74
• Chemical Similarity derived from Statistical Evaluation of Pharmaceutical Drugs: A Comparison across other Fingerprint Methods
  Abstract Numerical criteria to express chemical similarity typically make use of the presence, respectively absence of features, such as substituents or substructures that arise from the 2D-topology of molecules, resulting in molecular fingerprints. In contras…
  preprints 2026 置信度 0.74
• Evaluation of anti-arthritic activity of aripiprazole through multi models: new potential of an old drug
  Abstract Aim of study: This study was conducted to investigate the antiarthritic effect of three different doses of aripiprazole based on its previously reported anti-inflammatory activity. Material and methods: Aripiprazole, an atypical antipsychotic, has bee…
  preprints 2026 置信度 0.74
• A Machine Intelligence Based Process of Reverse Engineering Through Rutherford Model; The Development of Nuclear Fuel propulsion Method
  Modern computing has changed the all old dimensions ,through scientific computing .A classic example of reverse engineering through scientific computing is remodel atomic theory E= .The transformation of organic chemistry in molecular form of energy contacted …
  preprints 2026 置信度 0.74
• Automated Code Generation for Recurrence Relations Systematically Exceeds Expert Optimisation
  Abstract Recurrence relations are computational primitives across scientific computing, from orthogonal polynomials to molecular integral evaluation. Traditional implementations face a dual expertise barrier: domain scientists lack C++ optimisation skills, whi…
  preprints 2026 置信度 0.74
• Satellite orbital mechanics predicts molecular vibrational anharmonicity
  Abstract Predicting molecular vibrational energy levels requires either extensive laboratory measurements or computationally expensive quantum chemistry calculations. Here we demonstrate that 60-year-old satellite orbital perturbation mechanics predicts molecu…
  preprints 2026 置信度 0.74
• Expanding the Enzymatic Landscape for Polyurethane Degradation of Novel Bacterial Urethanases
  ABSTRACT Polyurethanes (PURs) represent a significant challenge in plastic waste management due to their chemical resilience and limited recycling options. In this study, we report the identification and characterization of five novel bacterial urethanases, ex…
  preprints 2026 置信度 0.74
• Temporal Hydrogen-Bond Network Analysis Reveals Substrate-Directed Connectivity in Dihydrofolate Reductase
  Hydrogen-bond networks are central to protein function, but most network analyses rely on static representations that neglect how interactions evolve in time. Here, we introduce a framework that combines instantaneous and temporal graph analysis of hydrogen-bo…
  preprints 2026 置信度 0.74
• ST-Analyzer: A Packaged Web and Command-Line Interface for Simulation Trajectory Analysis
  As high-performance computing provides the ability to generate and analyze ever larger simulation trajectories, the challenges in learning, applying, and sharing the best analytical practices become more salient. Extracting reproducible scientific insights fro…
  preprints 2026 置信度 0.74
• BrightEyes-FFS: an open-source platform for comprehensive analysis of fluorescence fluctuation spectroscopy experiments with small detector arrays
  Fluorescence fluctuation spectroscopy (FFS) is an ensemble of techniques for quantitative measurement of molecular dynamics and interactions. Recently, the introduction of small-format array detectors has opened up a new range of spatiotemporal information, al…
  preprints 2026 置信度 0.74
• MolDeBERTa: Foundational Model for Physicochemical and Substructure-Informed Molecular Representation Learning
  Foundational models that learn the “language” of molecules are essential for accelerating material and drug discovery. These self-learning models can be trained on large collections of unlabelled molecules, enabling applications such as property prediction, mo…
  preprints 2026 置信度 0.74
• ProteomeScan: A Toolkit For Target Validation By Proteome-Wide Docking And Analysis
  The problem of identifying which protein target a potential drug-like molecule interacts with is crucial for both the study of existing drugs and the design of new therapeutic compounds. Despite the importance of target identification, existing computational a…
  preprints 2026 置信度 0.74
• Monoallelic expression characterizes a distinct molecular and clinical group of breast tumors
  Abstract In diploid cells, allelic imbalance occurs when gene alleles are expressed at different levels. To investigate the allelic imbalance landscape in tumor samples, we developed Interval-Based Allelic Imbalance Detection (IB-Aid), a quantitative framework…
  preprints 2025 置信度 0.74
• A Machine Learning and Benchmarking Approach for Molecular Formula Assignment of Ultra High-Resolution Mass Spectrometry Data from Complex Mixtures
  ABSTRACT A machine learning approach to molecular formula assignment is crucial for unlocking the full potential of ultra-high resolution mass spectrometry (UHRMS) when analyzing complex mixtures. By combining data-driven models with rigorous benchmarking, the…
  preprints 2026 置信度 0.74
• CRISPR-based neuromorphic computing for solving regression and classification
  The CRISPR-dCas9 system has emerged as a versatile platform for programmable gene regulation, offering unique advantages in modularity and orthogonality for constructing synthetic genetic circuits. Here, we present a novel architecture for biomolecular neural …
  preprints 2025 置信度 0.74
• Quantum Computing Reveals Energetics of Tau Peptide Fragments
  ABSTRACT Near-term quantum algorithms such as the variational quantum eigensolver (VQE) have been widely explored for small-molecule electronic structure calculations, yet their relevance for biologically motivated peptide systems remains largely untested. Her…
  preprints 2025 置信度 0.74
• RNAGAN: Train One and Get Four, Multipurpose Human RNA-Seq Analysis Tool with Enhanced Interpretability and Small Data Size Capability
  ABSTRACT The advent of artificial intelligence (AI) has brought revolutionary tools for biomedical transcriptomic (RNA-level) research. However, there are persistent constraints including limited interpretations with biomedical concepts such as functional path…
  preprints 2026 置信度 0.74
• Subdomains of Endophilin-NBAR Can Synergistically Drive Membrane Remodeling and Facilitate Controlled Membrane Scission
  ABSTRACT The NBAR-domain containing protein endophilin, as a major player in many endocytic pathways, has offered considerable insight into BAR-domain driven membrane remodeling. However, understanding the interaction of the different subdomains of endophilin …
  preprints 2026 置信度 0.74
• FMAGJ: Fluorescence Microscopic Astrocyte Gap Junction Images Dataset
  This work introduces a novel and specialized dataset of high-resolution fluorescence microscopic images focused on astrocytic gap junctions, aiming to get insights into intercellular communication in both healthy and pathological brain conditions. The dataset …
  preprints 2025 置信度 0.74
• Single center Automated, Multi-Source deeply Phenotyped Heart Transplant Registry as a template to build tailored data infrastructure
  ABSTRACT Background Traditional heart transplant registries often lack the granularity required for deep phenotyping and rely on labor-intensive manual abstraction. We describe the methodology and validation of a next-generation, automated, multi-source regist…
  preprints 2026 置信度 0.74
• cryoJAX: A Cryo-electron Microscopy Image Simulation Library In JAX
  While cryo-electron microscopy (cryo-EM) has come to prominence in the last decade due to its ability to resolve biomolecular complexes at atomic resolution, advancements in experimental and computational methods have made cryo-EM promising for investigating i…
  preprints 2025 置信度 0.74
• Co-designing ab initio electronic structure methods on a RISC-V vector architecture
  Ab initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial efforts in porting these codes to a RISC-…
  preprints 2025 置信度 0.74
• A Cophylogenetic Approach for Virus-Host Interaction Prediction
  Advances in metagenomics have rapidly expanded viral discovery, revealing vast diversity across Earth’s virosphere. Yet most virus–host interactions—i.e., which viruses infect which hosts—remain unrecorded. Identifying these interactions is essential for antic…
  preprints 2026 置信度 0.74
• BindFlow: a free, user-friendly pipeline for absolute binding free energy calculations using free energy perturbation or MM(PB/GB)SA
  We present BindFlow, a Python-based software for automated absolute binding free energy (ABFE) calculations at the free energy perturbation (FEP) or at the molecular mechanics Poisson-Boltzmann/generalized Born surface area [MM(PB/GB)SA] level of theory. BindF…
  preprints 2025 置信度 0.74
• Quantum-computing within a bosonic context: Assessing finite basis effects on prototypical vibrational Hamiltonian spectra
  Abstract Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of strongly-correlated molecular systems or extended materials. Most studies s…
  preprints 2025 置信度 0.74
• Correlated Motion-Based Residue Network Analysis Reveals the Distal Thermal Activation in Soybean Lipoxygenase
  ABSTRACT Enzyme catalysis has been shown to depend on distal pathways that channel thermal energy from solvent to the active site. In soybean lipoxygenase (SLO), experiments identified a cone-shaped network connecting loop residue Gln322 to Leu546 but not Leu7…
  preprints 2025 置信度 0.74
• Predicting the toxicity of chemical compounds via Hyperdimensional Computing
  ABSTRACT Accurately and efficiently assessing the potential toxicity of chemical compounds is critical given their wide application across pharmaceutical, industrial, and environmental domains. Traditional toxicological evaluations, which predominantly rely on…
  preprints 2025 置信度 0.74
• Quantum Algorithms for Stochastic Differential Equations: Achieving Polynomial and Super-Polynomial Speedups for High-Dimensional Systems
  Stochastic differential equations (SDEs) model noisy dynamical systems across quantitative finance, chemistry, physics, and climate science. Classical solvers-Euler-Maruyama schemes, Monte Carlo methods, and finite-difference PDE solvers for Fokker-Planck equa…
  preprints 2026 置信度 0.74
• A novel lipid-triggered allosteric site modulates LC3-LIR receptor binding activity
  Membrane recruitment is a fundamental regulator of protein function. However, the allosteric mechanisms by which lipid binding controls protein activity remain poorly understood. In autophagy, the ubiquitin-like protein LC3 is lipid-anchored to autophagosomes,…
  preprints 2026 置信度 0.74
• GROMODEX: Optimisation of GROMACS Performance through a Design of Experiment Approach
  We introduce GROMODEX, a novel tool designed to optimise GROMACS molecular dynamics (MD) simulations using a structured Design of Experiments (DoE) approach. GROMACS, though efficient, requires extensive tuning of parameters to perform optimally on different h…
  preprints 2025 置信度 0.74
• Fractal: Towards FAIR bioimage analysis at scale with OME-Zarr-native workflows
  The rapid growth in microscopy data volume, dimensionality, and diversity urgently calls for scalable and reproducible analysis frameworks. While efforts on the open OME-Zarr format have helped standardize the storage of large microscopy datasets, solutions fo…
  preprints 2026 置信度 0.74
• Mapping of dynamic allostery within p38 alpha kinase via network analyses and NMR spectroscopy
  Abstract Kinases are major drug targets especially in cancer therapy. However, the high degree of conservation of their active sites hinders the development of selective inhibitors, motivating a deeper understanding of kinase conformational ensembles and allos…
  preprints 2026 置信度 0.74
• Shaping the Glycan Landscape: Hidden relationships between linkage and ring distortions induced by carbohydrate-active enzymes
  Carbohydrate-active enzymes (CAZymes) catalyze glycan remodeling by forming and cleaving glycosidic bonds in diverse biological environments. Often, a key aspect of their catalytic mechanism is a monosaccharide chair-to-boat distortion that brings the substrat…
  preprints 2025 置信度 0.74
• QSAR-Guided Generative Framework for the Discovery of Synthetically Viable Odorants
  Abstract The discovery of novel odorant molecules is key for the fragrance and flavor industries, yet efficiently navigating the vast chemical space to identify structures with desirable olfactory properties remains a significant challenge. Generative artifici…
  preprints 2026 置信度 0.74
• A multiscale framework for developing equations of state of supercritical aqueous systems from synchrotron experiments, atomistic simulations, and machine learning
  Abstract The increase of fossil fuels use is responsible for the increased greenhouse gas emissions which have a great impact on the environment leading to global warming. Consequently, substantial efforts are devoted to decrease our dependence on fossil fuels…
  preprints 2026 置信度 0.74
• Keeping SCORE enables interpretable uncertainty-aware classification from diffusion models for genomics
  Classifying cellular states from high-dimensional molecular and genomic measurements requires methods that provide not only accurate predictions but also calibrated uncertainty and interpretability. Current nonlinear classifiers offer accuracy but often lack u…
  preprints 2025 置信度 0.74
• Neuromorphic Modeling of Molecular Signatures in the Human Spine
  Background: Spinal disorders frequently involve dynamic molecular cascades that unfold over multiple timescales, posing challenges for early diagnosis and intervention. Traditional sensing technologies often fail to resolve fast biochemical changes or integrat…
  europepmc 2025 置信度 0.80