| SPASS Version 3.5 C Weidenbach, D Dimova, A Fietzke, R Kumar, M Suda, P Wischnewski Automated Deduction–CADE-22: 22nd International Conference on Automated …, 2009 | 417 | 2009 |
| Recent progress in understanding activity cliffs and their utility in medicinal chemistry: miniperspective D Stumpfe, Y Hu, D Dimova, J Bajorath Journal of medicinal chemistry 57 (1), 18-28, 2014 | 223 | 2014 |
| Computational method for the systematic identification of analog series and key compounds representing series and their biological activity profiles D Stumpfe, D Dimova, J Bajorath Journal of Medicinal Chemistry 59 (16), 7667-7676, 2016 | 58 | 2016 |
| Design of multitarget activity landscapes that capture hierarchical activity cliff distributions D Dimova, M Wawer, AM Wassermann, J Bajorath Journal of chemical information and modeling 51 (2), 258-266, 2011 | 52 | 2011 |
| Composition and topology of activity cliff clusters formed by bioactive compounds D Stumpfe, D Dimova, J Bajorath Journal of Chemical Information and Modeling 54 (2), 451-461, 2014 | 50 | 2014 |
| Highly promiscuous small molecules from biological screening assays include many pan-assay interference compounds but also candidates for polypharmacology E Gilberg, S Jasial, D Stumpfe, D Dimova, J Bajorath Journal of Medicinal Chemistry 59 (22), 10285-10290, 2016 | 47 | 2016 |
| Matched molecular pair analysis of small molecule microarray data identifies promiscuity cliffs and reveals molecular origins of extreme compound promiscuity D Dimova, Y Hu, J Bajorath Journal of Medicinal Chemistry 55 (22), 10220-10228, 2012 | 45 | 2012 |
| Advances in activity cliff research D Dimova, J Bajorath Molecular informatics 35 (5), 181-191, 2016 | 40 | 2016 |
| Comprehensive analysis of single‐and multi‐target activity cliffs formed by currently available bioactive compounds AM Wassermann, D Dimova, J Bajorath Chemical biology & drug design 78 (2), 224-228, 2011 | 35 | 2011 |
| Do medicinal chemists learn from activity cliffs? A systematic evaluation of cliff progression in evolving compound data sets D Dimova, K Heikamp, D Stumpfe, J Bajorath Journal of Medicinal Chemistry 56 (8), 3339-3345, 2013 | 31 | 2013 |
| Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry D Dimova, D Stumpfe, Y Hu, J Bajorath Future Science OA 2 (4), FSO149, 2016 | 30 | 2016 |
| Follow up: Advancing the activity cliff concept, part II D Stumpfe, AV de León, D Dimova, J Bajorath F1000Research 3, 2014 | 30 | 2014 |
| Advances in computational medicinal chemistry: matched molecular pair analysis AM Wassermann, D Dimova, P Iyer, J Bajorath Drug Development Research 73 (8), 518-527, 2012 | 29 | 2012 |
| Assessing the target differentiation potential of imidazole-based protein kinase inhibitors D Dimova, P Iyer, M Vogt, F Totzke, MHG Kubbutat, C Schächtele, ... Journal of Medicinal Chemistry 55 (24), 11067-11071, 2012 | 28 | 2012 |
| Monitoring the progression of structure–activity relationship information during lead optimization V Shanmugasundaram, L Zhang, S Kayastha, A de la Vega de León, ... Journal of medicinal chemistry 59 (9), 4235-4244, 2016 | 25 | 2016 |
| Method for the evaluation of structure–activity relationship information associated with coordinated activity cliffs D Dimova, D Stumpfe, J Bajorath Journal of Medicinal Chemistry 57 (15), 6553-6563, 2014 | 21 | 2014 |
| Activity cliff clusters as a source of structure–activity relationship information D Dimova, D Stumpfe, Y Hu, J Bajorath Expert Opinion on Drug Discovery 10 (5), 441-447, 2015 | 17 | 2015 |
| Extraction of SAR information from activity cliff clusters via matching molecular series D Dimova, J Bajorath European Journal of Medicinal Chemistry 87, 454-460, 2014 | 17 | 2014 |
| Quantifying the fingerprint descriptor dependence of structure–activity relationship information on a large scale D Dimova, D Stumpfe, J Bajorath Journal of chemical information and modeling 53 (9), 2275-2281, 2013 | 16 | 2013 |
| Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds D Dimova, D Stumpfe, J Bajorath Future science OA 4 (2), FSO267, 2018 | 15 | 2018 |
Jürgen BajorathProfessor of Life Science Informatics, University of BonnVerified email at bit.uni-bonn.de
