T
Tobias Gensch
Researcher at Technical University of Berlin
Publications - 4
Citations - 90
Tobias Gensch is an academic researcher from Technical University of Berlin. The author has contributed to research in topics: Computer science & Context (language use). The author has an hindex of 2, co-authored 4 publications receiving 15 citations.
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A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Tobias Gensch,dos Passos Gomes G,Pascal Friederich,Peters E,Gaudin T,Robert Pollice,Kjell Jorner,AkshatKumar Nigam,Lindner D'Addario M,Matthew S. Sigman,Alán Aspuru-Guzik +10 more
TL;DR: Kraken as discussed by the authors is a discovery platform covering monodentate organophosphorus(III) ligands providing comprehensive physicochemical descriptors based on representative conformer ensembles.
Journal ArticleDOI
The Evolution of Data-Driven Modeling in Organic Chemistry.
Wendy L. Williams,Wendy L. Williams,Lingyu Zeng,Tobias Gensch,Matthew S. Sigman,Abigail G. Doyle,Abigail G. Doyle,Eric V. Anslyn +7 more
TL;DR: Data-driven modeling in organic chemistry as discussed by the authors provides a synopsis of the history of data-driven modelling and the terms used to describe these endeavors, as well as a timeline of the steps that led to its current state.
Posted ContentDOI
Design and Application of a Screening Set for Monophosphine Lig-ands in Metal Catalysis
Tobias Gensch,Sleight R. Smith,Thomas Colacot,Yam Timsina,Guolin Xu,Ben Glasspoole,Matthew S. Sigman +6 more
TL;DR: A tool set to aid the search of optimal catalysts in the context of phosphine ligands is developed and it is demonstrated how proximi-ty in ligand space can be a useful guide to further explore ligands when very few active catalysts are known.
Posted ContentDOI
Linking Mechanistic Analysis of Catalytic Reactivity Cliffs to Ligand Classification
Newman-Stonebraker S,Sleight R. Smith,Julia E. Borowski,Peters E,Tobias Gensch,Heather C. Johnson,Matthew S. Sigman,Abigail G. Doyle +7 more
TL;DR: This paper developed a broadly applicable and quantitative classification workflow that identifies reactivity cliffs in eleven Ni- and Pd-catalyzed cross-coupling datasets employing monodentate phosphine ligands.