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36 results on '"Wiest, Olaf"'

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1. Are we making much progress? Revisiting chemical reaction yield prediction from an imbalanced regression perspective

2. Large Language Model based Multi-Agents: A Survey of Progress and Challenges

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3. On the use of real-world datasets for reaction yield prediction.

4. Targeting the chromatin effector Pygo2 promotes cytotoxic T cell responses and overcomes immunotherapy resistance in prostate cancer.

5. What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks

6. Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout

7. Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

8. Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products.

9. Graph-based Molecular Representation Learning

10. Microsecond timescale MD simulations at the transition state of PmHMGR predict remote allosteric residues

11. Microsecond timescale MD simulations at the transition state of PmHMGR predict remote allosteric residues

12. Microsecond timescale MD simulations at the transition state of PmHMGR predict remote allosteric residues

13. Few-Shot Graph Learning for Molecular Property Prediction

14. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation

15. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation

16. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation

17. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation

18. Hydrogenation catalyst generates cyclic peptide stereocentres in sequence.

19. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation

20. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation

21. Ni-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions : Catalyst Identification and Optimization

22. Palladium-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions

23. Evolution of Concise and Flexible Synthetic Strategies for Trichostatic Acid and the Potent Histone Deacetylase Inhibitor Trichostatin A

26. Application of Q2MM to stereoselective reactions

27. Application of Q2MM to stereoselective reactions

28. Parameterization and Validation of Solvation Corrected Atomic Radii

29. On the Mechanisism of the Palladium Catalyzed Intramolecular Pauson-Khand Reaction

30. Parameterization and Validation of Solvation Corrected Atomic Radii

31. On the Mechanisism of the Palladium Catalyzed Intramolecular Pauson-Khand Reaction

32. Parameterization and Validation of Solvation Corrected Atomic Radii

33. On the Mechanisism of the Palladium Catalyzed Intramolecular Pauson-Khand Reaction

34. A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes

35. A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes

36. A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes