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Journal of Chemical Information and Modeling|March 24, 2023
AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction ModelsSamuel Genheden, Per-Ola Norrby, Ola EngkvistJournal of Chemical Information and Modeling|August 3, 2021
Clustering of Synthetic Routes Using Tree Edit DistanceSamuel Genheden, Ola Engkvist, Esben BjerrumJournal of Chemical Information and Modeling|September 10, 2025
Precedent Finder: Locating Pareto-Optimal ReactionsChristoph A Bauer, Thierry Kogej, Samuel Genheden, et al.Journal of Chemical Information and Modeling|July 12, 2024
Finding Relevant Retrosynthetic Disconnections for Stereocontrolled ReactionsOlaf Wiest, Christoph Bauer, Paul Helquist, et al.Molecular Informatics|February 5, 2022
Prediction of the Chemical Context for Buchwald-Hartwig Coupling ReactionsSamuel Genheden, Agnes Mårdh, Gustav Lahti, et al.Journal of Cheminformatics|December 9, 2020
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planningSamuel Genheden, Amol Thakkar, Veronika Chadimová, et al.Journal of Cheminformatics|May 22, 2024
AiZynthFinder 4.0: developments based on learnings from 3 years of industrial applicationLakshidaa Saigiridharan, Alan Kai Hassen, Helen Lai, et al.Molecular Informatics|July 18, 2025
Network Analysis of the Organic Chemistry in Patents, Literature, and Pharmaceutical IndustryEmma Svensson, Emma Granqvist, Tomas Bastys, et al.Drug Discovery Today|March 7, 2018
Computational prediction of chemical reactions: current status and outlookOla Engkvist, Per-Ola Norrby, Nidhal Selmi, et al.Dalton Transactions (Cambridge, England : 2003)|July 9, 2011
A DFT comparison of the neutral and cationic Heck pathwaysCarina Bäcktorp, Per-Ola NorrbyPageof 29