Journal Article |
535 |
Bellmann, L.; Penner, P.; Rarey, M.
Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration
Journal of Chemical Information and Modeling, 59 (11): 4625-4635. |
2019535 |
Bellmann, L.; Penner, P.; Rarey, M. (2019) Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration . Journal of Chemical Information and Modeling, 59 (11):4625-4635. |
Journal Article |
543 |
Bellmann, L.; Penner, P.; Rarey, M.
Topological Similarity Search in Large Combinatorial Fragment Spaces
Journal of Chemical Information and Modeling, 61(1): 238-251. |
2021543 |
Bellmann, L.; Penner, P.; Rarey, M. (2021) Topological Similarity Search in Large Combinatorial Fragment Spaces . Journal of Chemical Information and Modeling, 61(1):238-251. |
Journal Article |
557 |
Bellmann, L.; Penner, P.; Gastreich, M.; Rarey, M.
Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs
Journal of Chemical Information and Modeling, 62(3): 553–566. |
2022557 |
Bellmann, L.; Penner, P.; Gastreich, M.; Rarey, M. (2022) Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs . Journal of Chemical Information and Modeling, 62(3):553–566. |
Journal Article |
562 |
Bellmann, L.; Klein, R.; Rarey, M.
Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment Spaces
Journal of Chemical Information and Modeling, 62(11): 2800-2810. |
2022562 |
Bellmann, L.; Klein, R.; Rarey, M. (2022) Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment Spaces . Journal of Chemical Information and Modeling, 62(11):2800-2810. |
Journal Article |
565 |
Penner, P.; Martiny, V.; Bellmann, L.; Flachsenberg, F.; Gastreich, M.; Theret, I., Meyer, C.; Rarey, M.
FastGrow: on‑the‑fly growing and its application to DYRK1A
Journal of Computer-Aided Molecular Design, 36(9)(639-651) |
2022565 |
Penner, P.; Martiny, V.; Bellmann, L.; Flachsenberg, F.; Gastreich, M.; Theret, I., Meyer, C.; Rarey, M. (2022) FastGrow: on‑the‑fly growing and its application to DYRK1A . Journal of Computer-Aided Molecular Design, 36(9)(639-651) |