| Quo vadis, virtual screening? A comprehensive survey of prospective applications P Ripphausen, B Nisius, L Peltason, J Bajorath Journal of medicinal chemistry 53 (24), 8461-8467, 2010 | 303 | 2010 |
| SAR index: Quantifying the nature of structure− activity relationships L Peltason, J Bajorath Journal of medicinal chemistry 50 (23), 5571-5578, 2007 | 208 | 2007 |
| Navigating structure–activity landscapes J Bajorath, L Peltason, M Wawer, R Guha, MS Lajiness, JH Van Drie Drug discovery today 14 (13-14), 698-705, 2009 | 185 | 2009 |
| Structure− activity relationship anatomy by network-like similarity graphs and local structure− activity relationship indices M Wawer, L Peltason, N Weskamp, A Teckentrup, J Bajorath Journal of medicinal chemistry 51 (19), 6075-6084, 2008 | 162 | 2008 |
| Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffs L Peltason, P Iyer, J Bajorath Journal of chemical information and modeling 50 (6), 1021-1033, 2010 | 93 | 2010 |
| Molecular similarity analysis uncovers heterogeneous structure-activity relationships and variable activity landscapes L Peltason, J Bajorath Chemistry & biology 14 (5), 489-497, 2007 | 71 | 2007 |
| From structure–activity to structure–selectivity relationships: quantitative assessment, selectivity cliffs, and key compounds L Peltason, Y Hu, J Bajorath ChemMedChem: Chemistry Enabling Drug Discovery 4 (11), 1864-1873, 2009 | 61 | 2009 |
| Systematic computational analysis of structure–activity relationships: concepts, challenges and recent advances L Peltason, J Bajorath Future Medicinal Chemistry 1 (3), 451-466, 2009 | 51 | 2009 |
| Structural interpretation of activity cliffs revealed by systematic analysis of structure− activity relationships in analog series MT Sisay, L Peltason, J Bajorath Journal of chemical information and modeling 49 (10), 2179-2189, 2009 | 44 | 2009 |
| Inducers of the endothelial cell barrier identified through chemogenomic screening in genome-edited hPSC-endothelial cells F Roudnicky, JD Zhang, BK Kim, NJ Pandya, Y Lan, L Sach-Peltason, ... Proceedings of the National Academy of Sciences 117 (33), 19854-19865, 2020 | 43 | 2020 |
| Exploration of Structure− Activity Relationship Determinants in Analogue Series L Peltason, N Weskamp, A Teckentrup, J Bajorath Journal of medicinal chemistry 52 (10), 3212-3224, 2009 | 38 | 2009 |
| Elucidation of structure− activity relationship pathways in biological screening data M Wawer, L Peltason, J Bajorath Journal of medicinal chemistry 52 (4), 1075-1080, 2009 | 33 | 2009 |
| Computational Analysis of Multi‐target Structure–Activity Relationships to Derive Preference Orders for Chemical Modifications toward Target Selectivity AM Wassermann, L Peltason, J Bajorath ChemMedChem: Chemistry Enabling Drug Discovery 5 (6), 847-858, 2010 | 29 | 2010 |
| Discovery of a first-in-class orally available HBV cccDNA inhibitor L Wang, Q Zhu, JD Zhang, Y Zhang, X Ni, K Xiang, J Jiang, B Li, Y Yu, ... Journal of Hepatology 78 (4), 742-753, 2023 | 20 | 2023 |
| Multiscale modelling of drug mechanism and safety JD Zhang, L Sach-Peltason, C Kramer, K Wang, M Ebeling Drug discovery today 25 (3), 519-534, 2020 | 20 | 2020 |
| Molecular similarity analysis in virtual screening L Peltason, J Bajorath | 16 | 2008 |
| Computational predictions of nonclinical pharmacokinetics at the drug design stage R Stoyanova, PM Katzberger, L Komissarov, A Khadhraoui, ... Journal of Chemical Information and Modeling 63 (2), 442-458, 2023 | 11 | 2023 |
| Optimization of the TeraTox Assay for Preclinical Teratogenicity Assessment M Jaklin, JD Zhang, N Schäfer, N Clemann, P Barrow, E Küng, ... Toxicological Sciences 188 (1), 17-33, 2022 | 11 | 2022 |
| Blocked inverted indices for exact clustering of large chemical spaces P Thiel, L Sach-Peltason, C Ottmann, O Kohlbacher Journal of Chemical Information and Modeling 54 (9), 2395-2401, 2014 | 11 | 2014 |
| Clinical characterization of epilepsy in children with Angelman syndrome D Cassater, M Bustamante, L Sach-Peltason, A Rotenberg, M Nespeca, ... Pediatric neurology 124, 42-50, 2021 | 10 | 2021 |
