| Comparing molecular patterns using the example of SMARTS: Theory and algorithms R Schmidt, ESR Ehmki, F Ohm, HC Ehrlich, A Mashychev, M Rarey Journal of Chemical Information and Modeling 59 (6), 2560-2571, 2019 | 30 | 2019 |
| Comparing molecular patterns using the example of SMARTS: applications and filter collection analysis ESR Ehmki, R Schmidt, F Ohm, M Rarey Journal of Chemical Information and Modeling 59 (6), 2572-2586, 2019 | 19 | 2019 |
| Exploring Structure–Activity Relationships with Three‐Dimensional Matched Molecular Pairs—A Review ESR Ehmki, M Rarey ChemMedChem 13 (6), 482-489, 2018 | 11 | 2018 |
| SMARTS. plus–a toolbox for chemical pattern design C Ehrt, B Krause, R Schmidt, ESR Ehmki, M Rarey Molecular Informatics 39 (12), 2000216, 2020 | 10 | 2020 |
| Matched molecular series: measuring SAR similarity ESR Ehmki, C Kramer Journal of Chemical Information and Modeling 57 (5), 1187-1196, 2017 | 10 | 2017 |
| Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design JR Loeffler, ESR Ehmki, JE Fuchs, KR Liedl Journal of Computer-Aided Molecular Design 30, 391-400, 2016 | 10 | 2016 |
| Network Balance Scaling Improves Performance and Explainability of Machine Learning Models in Early Drug Discovery S Hönig, WG Bolick, D Kuhn, L Friedrich, E Ehmki, T Fuchß, B Leuthner, ... | | 2022 |
| Automatic generation of high quality 3D matched molecular pairs E Ehmki, M Rarey ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| SMARTS comparison and the analysis of HTS filter sets R Schmidt, E Ehmki, M Rarey ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Supporting Information: Kinetic Barriers in the Isomerization of Substituted Ureas: Implications for Computer-Aided Drug Design JR Loeffler, ESR Ehmki, JE Fuchs, KR Liedl | | |
Matthias RareyProfessor, Universität Hamburg, ZBH - Zentrum für BioinformatikVerified email at uni-hamburg.de
