A compact review of molecular property prediction with graph neural networks O Wieder, S Kohlbacher, M Kuenemann, A Garon, P Ducrot, T Seidel, ... Drug Discovery Today: Technologies 37, 1-12, 2020 | 329 | 2020 |
Applications of the pharmacophore concept in natural product inspired drug design T Seidel, O Wieder, A Garon, T Langer Molecular Informatics 39 (11), 2000059, 2020 | 52 | 2020 |
A computational approach to identify potential novel inhibitors against the coronavirus SARS‐CoV‐2 V Battisti, O Wieder, A Garon, T Seidel, E Urban, T Langer Molecular informatics 39 (10), 2000090, 2020 | 26 | 2020 |
Improving small molecule pKa prediction using transfer learning with graph neural networks F Mayr, M Wieder, O Wieder, T Langer Frontiers in Chemistry 10, 866585, 2022 | 22 | 2022 |
Improved lipophilicity and aqueous solubility prediction with composite graph neural networks O Wieder, M Kuenemann, M Wieder, T Seidel, C Meyer, SD Bryant, ... Molecules 26 (20), 6185, 2021 | 20 | 2021 |
Reinstatement of synaptic plasticity in the aging brain through specific dopamine transporter inhibition. J Lubec, P Kalaba, AM Hussein, DD Feyissa, MH Kotob, RR Mahmmoud, ... Molecular psychiatry 26 (12), 7076-7090, 2021 | 18 | 2021 |
High-quality conformer generation with conforge: Algorithm and performance assessment T Seidel, C Permann, O Wieder, SM Kohlbacher, T Langer Journal of Chemical Information and Modeling 63 (17), 5549-5570, 2023 | 5 | 2023 |
Hierarchical graph representation of pharmacophore models G Arthur, W Oliver, B Klaus, S Thomas, I Gökhan, B Sharon, T Isabelle, ... Frontiers in Molecular Biosciences 7, 599059, 2020 | 4 | 2020 |
Non-Steroidal Anti-Inflammatory Drug Use in Endurance Sports: Balancing Performance and Health Implications-a Literature Review PS Meyer-Glitza, T Langer, O Wieder OSF Preprints, 2023 | | 2023 |