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chemistry-in-a-graph:-trendy-insights-into-business-natural-synthesis-making-plans

Chemistry in a graph: trendy insights into business natural synthesis making plans

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00120F, Perspective Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Claudio Avila, Adam West, Anna C. Vicini, William Waddington, Christopher Brearley, James Clarke, Andrew M. DerrickWe present graph databases as a modern solution for

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om-diff:-inverse-design-of-organometallic-catalysts-with-guided-equivariant-denoising-diffusion

OM-Diff: Inverse-design of organometallic catalysts with guided equivariant denoising diffusion

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00099D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.François Cornet, Bardi Benediktsson, Bjarke Hastrup, Mikkel N. Schmidt, Arghya BhowmikOrganometallic complexes are ubiquitous in homogeneous catalysis and other technological applications. Optimization of such

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