April 18, 2024 - ExploTec

April 2024

codbench:-a-crucial-analysis-of-information-driven-fashions-for-steady-dynamical-methods

CoDBench: A Crucial Analysis of Information-driven Fashions for Steady Dynamical Methods

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00028E, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Priyanshu Burark, Karn Tiwari, Meer Mehran Rashid, Prathosh A P, N. M. Anoop KrishnanContinuous dynamical systems, characterized by differential equations, are ubiquitously used to

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trends-and-programs-of-the-optimade-api-for-fabrics-discovery,-design,-and-information-alternate

Trends and programs of the OPTIMADE API for fabrics discovery, design, and information alternate

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00039K, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Matthew Evans, Johan Bergsma, Andrius Merkys, Casper Andersen, Oskar B. Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M. Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto

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chebifier:-automating-semantic-classification-in-chebi-to-boost-up-data-driven-discovery

Chebifier: automating semantic classification in ChEBI to boost up data-driven discovery

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00238A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Martin Glauer, Fabian Neuhaus, Simon Flügel, Marie Wosny, Till Mossakowski, Adel Memariani, Johannes Schwerdt, Janna HastingsConnecting chemical structural representations with meaningful categories and semantic

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gotta-be-safe:-a-brand-new-framework-for-molecular-design

Gotta be SAFE: a brand new framework for molecular design

Digital Discovery, 2024, 3,796-804DOI: 10.1039/D4DD00019F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Emmanuel Noutahi, Cristian Gabellini, Michael Craig, Jonathan S. C. Lim, Prudencio TossouSAFE is a novel SMILES-compatible, fragment-based molecular line notation that streamlines molecule generation tasks.

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self-sustaining-millimeter-scale-excessive-throughput-battery-analysis-gadget

Self sustaining millimeter scale excessive throughput battery analysis gadget

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00257H, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Fuzhan Rahmanian, Stefan Fuchs, Bojing Zhang, Maximilian Fichtner, Helge Sören SteinThe high-throughput Auto-MISCHBARES platform streamlines reliable autonomous experimentation across laboratory devices through scheduling, quality

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the-way-forward-for-self-driving-laboratories:-from-human-within-the-loop-interactive-ai-to-gamification

The way forward for self-driving laboratories: from human within the loop interactive AI to gamification

Digital Discovery, 2024, 3,621-636DOI: 10.1039/D4DD00040D, Perspective Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Holland Hysmith, Elham Foadian, Shakti P. Padhy, Sergei V. Kalinin, Rob G. Moore, Olga S. Ovchinnikova, Mahshid AhmadiSelf-driving laboratories (SDLs) are the future for scientific

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predicting-small-molecules-solubility-on-endpoint-units-the-usage-of-deep-ensemble-neural-networks

Predicting small molecules solubility on endpoint units the usage of deep ensemble neural networks

Digital Discovery, 2024, 3,786-795DOI: 10.1039/D3DD00217A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mayk Caldas Ramos, Andrew D. WhiteWe propose a new way of deploying deep learning models to improve reproducibility and usability, making predictions with uncertainty.The content

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multi-task-scattering-model-classification-and-parameter-regression-of-nanostructures-from-small-angle-scattering-records

Multi-task scattering-model classification and parameter regression of nanostructures from small-angle scattering records

Digital Discovery, 2024, 3,694-704DOI: 10.1039/D3DD00225J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Batuhan Yildirim, James Doutch, Jacqueline M. ColeMachine learning (ML) can be employed at the data-analysis stage of small-angle scattering (SAS) experiments.The content of this RSS

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inverse-design-of-steel–natural-frameworks-for-direct-air-seize-of-co2via-deep-reinforcement-finding-out

Inverse design of steel–natural frameworks for direct air seize of CO2via deep reinforcement finding out

Digital Discovery, 2024, 3,728-741DOI: 10.1039/D4DD00010B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hyunsoo Park, Sauradeep Majumdar, Xiaoqi Zhang, Jihan Kim, Berend SmitA reinforcement learning framework enables the design and discovery of novel metal–organic frameworks (MOFs) for direct

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