Machine learning the ropes: principles, applications and directions in synthetic chemistry F Strieth-Kalthoff, F Sandfort, MHS Segler, F Glorius Chemical Society Reviews 49 (17), 6154-6168, 2020 | 213 | 2020 |
A structure-based platform for predicting chemical reactivity F Sandfort, F Strieth-Kalthoff, M Kühnemund, C Beecks, F Glorius Chem 6 (6), 1379-1390, 2020 | 209 | 2020 |
Deaminative borylation of aliphatic amines enabled by visible light excitation of an electron donor–acceptor complex F Sandfort, F Strieth‐Kalthoff, FJR Klauck, MJ James, F Glorius Chemistry–A European Journal 24 (65), 17210-17214, 2018 | 204 | 2018 |
Palladium‐catalyzed decarboxylative Heck‐type coupling of activated aliphatic carboxylic acids enabled by visible light M Koy, F Sandfort, A Tlahuext‐Aca, L Quach, CG Daniliuc, F Glorius Chemistry–A European Journal 24 (18), 4552-4555, 2018 | 131 | 2018 |
Intermolecular radical addition to carbonyls enabled by visible light photoredox initiated hole catalysis L Pitzer, F Sandfort, F Strieth-Kalthoff, F Glorius Journal of the American Chemical Society 139 (39), 13652-13655, 2017 | 117 | 2017 |
Visible‐Light‐Mediated Charge Transfer Enables C− C Bond Formation with Traceless Acceptor Groups MJ James, F Strieth‐Kalthoff, F Sandfort, FJR Klauck, F Wagener, ... Chemistry–A European Journal 25 (35), 8240-8244, 2019 | 113 | 2019 |
Alkyl−(Hetero) Aryl Bond Formation via Decarboxylative Cross‐Coupling: A Systematic Analysis F Sandfort, MJ O'Neill, J Cornella, L Wimmer, PS Baran Angewandte Chemie International Edition 56 (12), 3319-3323, 2017 | 106 | 2017 |
Machine learning for chemical reactivity: the importance of failed experiments F Strieth‐Kalthoff, F Sandfort, M Kühnemund, FR Schäfer, H Kuchen, ... Angewandte Chemie International Edition 61 (29), e202204647, 2022 | 102 | 2022 |
Transition-metal-catalyzed alkyl Heck-type reactions D Kurandina, P Chuentragool, V Gevorgyan Synthesis 51 (05), 985-1005, 2019 | 81 | 2019 |
Carbonyl–olefin cross‐metathesis through a visible‐light‐induced 1, 3‐diol formation and fragmentation sequence L Pitzer, F Sandfort, F Strieth‐Kalthoff, F Glorius Angewandte Chemie International Edition 57 (49), 16219-16223, 2018 | 60 | 2018 |
Site-selective thiolation of (multi) halogenated heteroarenes F Sandfort, T Knecht, T Pinkert, CG Daniliuc, F Glorius Journal of the American Chemical Society 142 (15), 6913-6919, 2020 | 52 | 2020 |
Development of a hydrazine-catalyzed carbonyl-olefin metathesis reaction TH Lambert Synlett 30 (17), 1954-1965, 2019 | 28 | 2019 |
Visible-Light-Initiated Hydrooxygenation of Unactivated Alkenes─ A Strategy for Anti-Markovnikov Hydrofunctionalization L Quach, S Dutta, PM Pflüger, F Sandfort, P Bellotti, F Glorius ACS Catalysis 12 (4), 2499-2504, 2022 | 16 | 2022 |
Synthetic approaches to acyl hydrazides and their use as synthons in organic synthesis N Spiliopoulou, CT Constantinou, I Triandafillidi, CG Kokotos Synthesis 52 (21), 3219-3230, 2020 | 15 | 2020 |
Carbonyl‐Olefin‐Kreuzmetathese mittels Licht‐induzierter 1, 3‐Diol‐Bildung‐und Fragmentierungssequenz L Pitzer, F Sandfort, F Strieth‐Kalthoff, F Glorius Angewandte Chemie 130 (49), 16453-16457, 2018 | 9 | 2018 |
Optimizing over trained GNNs via symmetry breaking S Zhang, J Campos, C Feldmann, D Walz, F Sandfort, M Mathea, C Tsay, ... Advances in Neural Information Processing Systems 36, 2024 | 5 | 2024 |
Augmenting optimization-based molecular design with graph neural networks S Zhang, JS Campos, C Feldmann, F Sandfort, M Mathea, R Misener Computers & Chemical Engineering 186, 108684, 2024 | 3 | 2024 |
ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents L Pattanaik, A Menon, V Settels, KA Spiekermann, Z Tan, FH Vermeire, ... The Journal of Physical Chemistry B 127 (47), 10151-10170, 2023 | 3 | 2023 |
Maschinelles Lernen zur Vorhersage chemischer Reaktivität: Die Bedeutung “gescheiterter” Experimente F Strieth‐Kalthoff, F Sandfort, M Kühnemund, FR Schäfer, H Kuchen, ... Angewandte Chemie 134 (29), e202204647, 2022 | 2 | 2022 |
MolPipeline: A python package for processing molecules with RDKit in scikit-learn J Sieg, CW Feldmann, J Hemmerich, C Stork, F Sandfort, P Eiden, ... | 1 | 2024 |