Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD90021A, Correction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Chen Qu, Qi Yu, Riccardo Conte, Paul L. Houston, Apurba Nandi, Joel M. Bowm…
Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD00077F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Hengwei Chen, Martin Vogt, Jürgen BajorathActivity cliffs (ACs) ar…
Digital Discovery, 2022, Accepted ManuscriptDOI: 10.1039/D2DD00084A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ajnabiul Hoque, Raghavan B. SunojThe growth of catalytic asymmetric C−H bond…
Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD00065B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Mani Valleti, Rama K. Vasudevan, Maxim A. Ziatdinov, Sergei V. Kal…
Digital Discovery, 2022, 1,586-595DOI: 10.1039/D2DD00050D, Perspective Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kasper Tolborg, Johan Klarbring, Alex M. Ganose, Aron WalshPrediction of crystal…
Digital Discovery, 2022, 1,732-744DOI: 10.1039/D2DD00028H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Riley J. Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru-GuzikA Bayesian optimizati…
Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD00070A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Giordano Mancini, Marco Fusè, Federico Lazzari, Vincenzo BaroneCon…
Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD00066K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Shizhao Lu, Brian Montz, Todd Emrick, Arthi JayaramanSemi-supervis…
Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD00058J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Benedikt Winter, Clemens Winter, Johannes Schilling, André BardowS…
Digital Discovery, 2022, Advance ArticleDOI: 10.1039/D2DD00068G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Aikaterini Vriza, Ioana Sovago, Daniel Widdowson, Vitaliy Kurlin, Peter A. Wood,…