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Papers matching “chemistry data” 5

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Supporting Sustainability of Chemistry by Linking Research Data with Physically Preserved Research Materials
2023 ChemRxiv preprint Computer Science Research Data Management Practices Open access

Chia‐Lin Lin, Pei‐Chi Huang, Simone Graessle, Christoph W. Grathwol, Pierre Tremouilhac, Sylvia Vanderheiden, +18 more

3

citations
Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course
2023 ChemRxiv preprint Computer Science Research Data Management Practices Open access

Fabian Fink, Alexander Hoffmann, Sonja Herres‐Pawlis

4

citations
Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
2025 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Alan Kai Hassen, Andrius Bernatavicius, Antonius P. A. Janssen, Mike Preuß, Gerard J. P. van Westen, Djork-Arné Clevert

0

citations
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization
2025 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, +17 more

1

citations
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization
2025 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, +17 more

1

citations

5 results