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April 15, 2024 In Unkategorisiert By admin

Automatic image processing of cavitation bubbles to analyze the properties of petroleum products

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00003J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Timur Aliev, Ilya Korolev, Olga Burdulenko, Ekaterina Alchinova, Anton Subbota, Mikhail Yasnov, Michael Nosonovsky, Ekaterina V. SkorbMachine-vision analysis of a frame with a gas

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prime-throughput-quantum-principle-of-atoms-in-molecules-(qtaim)-for-geometric-deep-finding-out-of-molecular-and-response-homes
April 15, 2024 In Unkategorisiert By Santiago Vargas

Prime-throughput Quantum Principle of Atoms in Molecules (QTAIM) for Geometric Deep Finding out of Molecular and Response Homes

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00057A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Santiago Vargas, Winston Gee, Anastassia AlexandrovaWe present a package, Generator, for geometric molecular property prediction based on topological features of quantum mechanical electron density.

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automatic-extraction-of-synthesis-parameters-of-pulsed-laser-deposited-fabrics-from-medical-literature
April 15, 2024 In Unkategorisiert By Rajan Kumar

Automatic extraction of synthesis parameters of pulsed laser-deposited fabrics from medical literature

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00051J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Rajan Kumar, Ablokit Joshi, Salman A. Khan, Shikhar MisraAn efficient data-driven literature-based discovery approach is utilized, that is capable of extracting knowledge from materials

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computerized-symbol-processing-of-cavitation-bubbles-to-research-the-houses-of-petroleum-merchandise
April 15, 2024 In Unkategorisiert By Timur Aliev

Computerized symbol processing of cavitation bubbles to research the houses of petroleum merchandise

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00003J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Timur Aliev, Ilya Korolev, Olga Burdulenko, Ekaterina Alchinova, Anton Subbota, Mikhail Yasnov, Michael Nosonovsky, Ekaterina V. SkorbMachine-vision analysis of a frame with a gas

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a-multiobjective-closed-loop-manner-against-independent-discovery-of-electrocatalysts-for-nitrogen-aid
April 15, 2024 In Unkategorisiert By Lance Kavalsky

A Multiobjective Closed-loop Manner Against Independent Discovery of Electrocatalysts for Nitrogen Aid

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D3DD00244F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lance Kavalsky, Vinay I. Hegde, Bryce Meredig, Venkatasubramanian ViswanathanElectrocatalyst discovery is an inherently multiobjective challenge that can benefit from closed-loop approaches towards acceleration. However,

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repurposing-quantum-chemical-descriptor-datasets-for-on-the-fly-technology-of-informative-response-representations:-utility-to-hydrogen-atom-switch-reactions
April 15, 2024 In Unkategorisiert By Javier E. Alfonso-Ramos

Repurposing quantum chemical descriptor datasets for on-the-fly technology of informative response representations: utility to hydrogen atom switch reactions

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00043A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Javier E. Alfonso-Ramos, Rebecca M. Neeser, Thijs StuyverIn this work, we explore how existing datasets of quantum chemical properties can be repurposed to build

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prolonged-similarity-strategies-for-environment-friendly-information-mining-in-imaging-mass-spectrometry
April 15, 2024 In Unkategorisiert By Nicholas R. Ellin

Prolonged similarity strategies for environment friendly information mining in imaging mass spectrometry

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00165B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Nicholas R. Ellin, Yingchan Guo, Ramón Alain Miranda-Quintana, Boone M. PrenticeExtended similarity indices facilitate processing complex IMS data and quickly finding correlations between multiple

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mlstructuremining:-a-device-finding-out-instrument-for-construction-id-from-x-ray-pair-distribution-purposes
April 15, 2024 In Unkategorisiert By Emil T. S. Kjaer

MLstructureMining: a device finding out instrument for construction id from X-ray pair distribution purposes

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00001C, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Emil T. S. Kjær, Andy S. Anker, Andrea Kirsch, Joakim Lajer, Olivia Aalling-Frederiksen, Simon J. L. Billinge, Kirsten M. Ø. JensenWe present MLstructureMining, a

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the-automatic-discovery-of-kinetic-fee-fashions-–-methodological-frameworks
April 15, 2024 In Unkategorisiert By Miguel Angel de Carvalho Servia

The automatic discovery of kinetic fee fashions – methodological frameworks

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00212H, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Miguel Ángel de Carvalho Servia, Ilya Orson Sandoval, King Kuok (Mimi) Hii, Klaus Hellgardt, Dongda Zhang, Ehecatl Antonio del Rio ChanonaTwo automated knowledge discovery

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