Journal Article |
479 |
Inhester, T.; Bietz, S.; Hilbig, M.; Schmidt, R., Rarey, M.
Index-based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces
Journal of Chemical Information and Modeling, 57(2): 148-158. |
2017479 |
Inhester, T.; Bietz, S.; Hilbig, M.; Schmidt, R., Rarey, M. (2017) Index-based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces . Journal of Chemical Information and Modeling, 57(2):148-158. |
Journal Article |
533 |
Schmidt, R.; Ehmki, E.S.R.; Ohm, F.; Ehrlich, H.-C.; Mashychev, A.; Rarey, M.
Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms
Journal of Chemical Information and Modeling, 59(6): 2560-2571. |
2019533 |
Schmidt, R.; Ehmki, E.S.R.; Ohm, F.; Ehrlich, H.-C.; Mashychev, A.; Rarey, M. (2019) Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms . Journal of Chemical Information and Modeling, 59(6):2560-2571. |
Journal Article |
534 |
Ehmki, E.S.R.; Schmidt, R.; Ohm, F.; Rarey, M.
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis
Journal of Chemical Information and Modeling, 59(6): 2572-2586. |
2019534 |
Ehmki, E.S.R.; Schmidt, R.; Ohm, F.; Rarey, M. (2019) Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis . Journal of Chemical Information and Modeling, 59(6):2572-2586. |
Journal Article |
545 |
Schmidt, R.; Krull, F.; Heinzke, A.L.; Rarey, M.
Disconnected Maximum Common Substructures under Constraints
Journal of Chemical Information and Modeling, 61(1): 167-178. |
2020545 |
Schmidt, R.; Krull, F.; Heinzke, A.L.; Rarey, M. (2020) Disconnected Maximum Common Substructures under Constraints . Journal of Chemical Information and Modeling, 61(1):167-178. |
Journal Article |
547 |
Ehrt, C.; Krause, B.; Schmidt, R.; Ehmki, E.; Rarey, M.
SMARTS.plus – A Toolbox for Chemical Pattern Design
Molecular Informatics, 39(12) |
2020547 |
Ehrt, C.; Krause, B.; Schmidt, R.; Ehmki, E.; Rarey, M. (2020) SMARTS.plus – A Toolbox for Chemical Pattern Design . Molecular Informatics, 39(12) |
Journal Article |
553 |
Schmidt, R.; Klein, R.; Rarey, M.
Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces
Journal of Chemical Information and Modeling, 62(9): 2133–2150. |
2021553 |
Schmidt, R.; Klein, R.; Rarey, M. (2021) Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces . Journal of Chemical Information and Modeling, 62(9):2133–2150. |
Journal Article |
558 |
Penner, P.; Guba, W.; Schmidt, R.; Meyder, A.; Stahl, M.; Rarey, M.
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare
Journal of Chemical Information and Modeling, 62(7): 1644–1653. |
2022558 |
Penner, P.; Guba, W.; Schmidt, R.; Meyder, A.; Stahl, M.; Rarey, M. (2022) The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare . Journal of Chemical Information and Modeling, 62(7):1644–1653. |