Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00028E, Paper Open Access   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
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00039K, Paper Open Access   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
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00238A, Paper Open Access   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
Digital Discovery, 2024, 3,796-804DOI: 10.1039/D4DD00019F, Paper Open Access   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.
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00257H, Paper Open Access   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
Digital Discovery, 2024, 3,621-636DOI: 10.1039/D4DD00040D, Perspective Open Access   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
Digital Discovery, 2024, 3,786-795DOI: 10.1039/D3DD00217A, Paper Open Access   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
Digital Discovery, 2024, 3,694-704DOI: 10.1039/D3DD00225J, Paper Open Access   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
Digital Discovery, 2024, 3,728-741DOI: 10.1039/D4DD00010B, Paper Open Access   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