Digital Discovery, 2023, Advance ArticleDOI: 10.1039/D2DD00132B, Review Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Tetiana Orlova, Anastasiia Piven, Darina Darmoroz, Timur …
Digital Discovery, 2023, 2,138-151DOI: 10.1039/D2DD00045H, PaperShiyi Qin, Shengli Jiang, Jianping Li, Prasanna Balaprakash, Reid C. Van Lehn, Victor M. ZavalaWe propose a graph neural network architecture that captures molecular interactions in an exp…
Digital Discovery, 2023, 2,245-245DOI: 10.1039/D2DD90027K, Correction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Benedikt Winter, Clemens Winter, Johannes Schilling, André BardowThe content of t…
Digital Discovery, 2023, 2,202-218DOI: 10.1039/D2DD00078D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Robert M. Forrest, A. Lindsay GreerWe use a genetic algorithm driven by a neural-netwo…
Digital Discovery, 2023, 2,219-233DOI: 10.1039/D2DD00100D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jules Lee, Prajakatta Mulay, Matthew J. Tamasi, Jonathan Yeow, Molly M. Stevens, Adam …
Digital Discovery, 2023, Advance ArticleDOI: 10.1039/D2DD00124A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kensei Terashima, Pedro Baptista de Castro, Miren Garbiñe Esparza Echevarria, Ry…
Digital Discovery, 2023, 2,246-247DOI: 10.1039/D3DD90002A, Correction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Guillermo RestrepoThe content of this RSS Feed (c) The Royal Society of Chemistry
Digital Discovery, 2023, 2,10-11DOI: 10.1039/D3DD90001K, Editorial Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alán Aspuru-GuzikDigital Discovery celebrates its first anniversary.The content of t…
Digital Discovery, 2023, Advance ArticleDOI: 10.1039/D2DD00024E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Antony D. Vassileiou, Murray N. Robertson, Bruce G. Wareham, Mithushan Soundaran…
Digital Discovery, 2023, Advance ArticleDOI: 10.1039/D2DD00096B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kamal Choudhary, Brian DeCost, Lily Major, Keith Butler, Jeyan Thiyagalingam, Fr…