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Benchmark Data Set for in Silico Prediction of Ames Mutagenicity.

, , , , , , , und . Journal of Chemical Information and Modeling, 49 (9): 2077-2081 (2009)

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apl. Prof. Dr. -Ing. Niels Hansen University of Stuttgart

Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis, und . Dataset, (2024)Related to: Schneider, Andreas; Lystbæk, Thomas B.; Markthaler, Daniel; Hansen, Niels; Hauer, Bernhard (2024): Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. In: Nature Communications, 15, 4925. doi: 10.1038/s41467-024-48993-9.
Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis, und . Dataset, (2024)Related to: Schneider, Andreas; Lystbæk, Thomas B.; Markthaler, Daniel; Hansen, Niels; Hauer, Bernhard (2024): Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. In: Nature Communications, 15, 4925. doi: 10.1038/s41467-024-48993-9.Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis, , , , und . Nature Communications, 15 (1): 4925 (10.06.2024)

Dr. rer. nat. Katja Löffler University of Stuttgart

Univ. -Prof. Dr. rer. pol. Katja Schimmelpfeng University of Stuttgart

Katja Drerup University of Stuttgart

Katja Heere University of Stuttgart

 

Weitere Publikationen von Autoren mit dem selben Namen

Learning Invariant Representations of Molecules for Atomization Energy Prediction., , , , , , , , und . NIPS, Seite 449-457. (2012)Benchmark Data Set for in Silico Prediction of Ames Mutagenicity., , , , , , , und . Journal of Chemical Information and Modeling, 49 (9): 2077-2081 (2009)A Probabilistic Approach to Classifying Metabolic Stability., , , , , , , , und . Journal of Chemical Information and Modeling, 48 (4): 785-796 (2008)Novel machine learning methods for computational chemistry.. Berlin Institute of Technology, (2012)Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set., , , , , , , , , und 23 andere Autor(en). Journal of Chemical Information and Modeling, 50 (12): 2094-2111 (2010)Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist., , , , , , , , , und . J. Cheminformatics, 2 (S-1): 27 (2010)Multi-task learning for pKa prediction., , , und . Journal of Computer-Aided Molecular Design, 26 (7): 883-895 (2012)Finding Density Functionals with Machine Learning, , , , und . CoRR, (2011)StructRank: A New Approach for Ligand-Based Virtual Screening., , , und . Journal of Chemical Information and Modeling, 51 (1): 83-92 (2011)How to Explain Individual Classification Decisions., , , , , und . J. Mach. Learn. Res., (2010)