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17 results in Keywords: statistical analysis

Uncertainty in MD-Derived Diffusion Coefficients Depends on Analysis Protocol, Not Just Simulation Data

Benjamin Morgan, Andrew McCluskey

Version 3 posted 19 November 2025

423

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by ChemRxiv

Geometric Predictors of CO₂/N₂ Selectivity in Metal-Organic Frameworks

Version 1 posted 26 June 2025

100

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by ChemRxiv

A Statistical-Chemometric Analysis Quantifying Impact of Stirring on Organic Reaction Yields: New Insights from the Huang et al. 2024 Data

Version 3 posted 21 November 2025

387

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by ChemRxiv

Statistical Treatment of Activity and Durability of Electrocatalysts with Distributed Binding Energies

Version 2 posted 19 March 2021

600

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by ChemRxiv

Rate-enhancing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling

Bailu Yan, Xinchun Ran, Yaoyukun Jiang, Sarah K. Torrence, Li Yuan, Qianzhen Shao, Zhongyue Yang

Version 1 posted 10 May 2021

442

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by ChemRxiv

Searching for a Predictive Model for Burglaries in Catalonia

Maria Aguareles, Dusan Bikov, Marta Canadell, Enric Costa-Miracle, Carlos Domingo, Jesus Fernandez-Sanchez, Nuria Folguera, Jordi Saludes, Aleksandra Stojanova, Zlatko Varbanov

Version 1 posted 04 May 2021

116

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Quantifying the Long-Range Coupling of Electronic Properties in Proteins with Ab Initio Molecular Dynamics

Zhongyue Yang, Natalia Hajlasz, Adam Steeves, Heather Kulik

Version 1 posted 14 December 2020

708

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by ChemRxiv

Covid-19 Case Statistics in Europe Show Moderate Negative Correlation with Vaccination Level

Version 1 posted 20 December 2021

137

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by Cambridge Open Engage

Analysing binding stoichiometries in NMR titration experiments using Monte Carlo simulation and resampling techniques

Version 1 posted 12 May 2022

517

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by ChemRxiv

PyC2MC: an open-source software solution for visualization and treatment of high-resolution mass spectrometry data

Maxime Sueur, Julien F. Maillard, Oscar Lacroix-Andrivet, Christopher Paul Rüger, Pierre Giusti, Hélène Lavanant, Carlos Afonso

Version 1 posted 17 November 2022

987

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1

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by ChemRxiv