Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning DF Nippa, K Atz, R Hohler, AT Müller, A Marx, C Bartelmus, G Wuitschik, ... Nature Chemistry 16 (2), 239-248, 2024 | 14 | 2024 |
Late-stage functionalization and its impact on modern drug discovery: medicinal chemistry and chemical biology highlights DF Nippa, R Hohler, AF Stepan, U Grether, DB Konrad, RE Martin Chimia 76 (3), 258-260, 2022 | 9 | 2022 |
Identifying opportunities for late-stage CH alkylation with high-throughput experimentation and in silico reaction screening DF Nippa, K Atz, AT Müller, J Wolfard, C Isert, M Binder, O Scheidegger, ... Communications Chemistry 6 (1), 256, 2023 | 2 | 2023 |
Deep interactome learning for de novo drug design K Atz, LC Muñoz, C Isert, M Håkansson, D Focht, DF Nippa, M Hilleke, ... | 2 | 2023 |
Graph transformer neural network for chemical reactivity prediction DF Nippa, K Atz, AT Müller, J Wolfard, C Isert, M Binder, O Scheidegger, ... | 2 | 2023 |
Prospective de novo drug design with deep interactome learning K Atz, L Cotos, C Isert, M Håkansson, D Focht, M Hilleke, DF Nippa, M Iff, ... Nature Communications 15 (1), 3408, 2024 | | 2024 |
Simple User-Friendly Reaction Format DF Nippa, AT Müller, K Atz, DB Konrad, U Grether, RE Martin, ... | | 2023 |