| Designing antimicrobial peptides: form follows function CD Fjell, JA Hiss, REW Hancock, G Schneider Nature reviews Drug discovery 11 (1), 37-51, 2012 | 1943 | 2012 |
| Computer-based de novo design of drug-like molecules G Schneider, U Fechner Nature Reviews Drug Discovery 4 (8), 649-663, 2005 | 1099 | 2005 |
| Counting on natural products for drug design T Rodrigues, D Reker, P Schneider, G Schneider Nature chemistry 8 (6), 531-541, 2016 | 1024 | 2016 |
| “Scaffold‐hopping” by topological pharmacophore search: a contribution to virtual screening G Schneider, W Neidhart, T Giller, G Schmid Angewandte Chemie International Edition 38 (19), 2894-2896, 1999 | 809 | 1999 |
| Comparison of support vector machine and artificial neural network systems for drug/nondrug classification E Byvatov, U Fechner, J Sadowski, G Schneider Journal of chemical information and computer sciences 43 (6), 1882-1889, 2003 | 701 | 2003 |
| Deep learning in drug discovery E Gawehn, JA Hiss, G Schneider Molecular informatics 35 (1), 3-14, 2016 | 659 | 2016 |
| Concepts of artificial intelligence for computer-assisted drug discovery X Yang, Y Wang, R Byrne, G Schneider, S Yang Chemical reviews 119 (18), 10520-10594, 2019 | 589 | 2019 |
| Automating drug discovery G Schneider Nature reviews drug discovery 17 (2), 97-113, 2018 | 584 | 2018 |
| Virtual screening: an endless staircase? G Schneider Nature Reviews Drug Discovery 9 (4), 273-276, 2010 | 570 | 2010 |
| Virtual screening and fast automated docking methods G Schneider, HJ Böhm Drug discovery today 7, 64-70, 2002 | 548 | 2002 |
| Drug discovery with explainable artificial intelligence J Jiménez-Luna, F Grisoni, G Schneider Nature Machine Intelligence 2 (10), 573-584, 2020 | 495 | 2020 |
| Rethinking drug design in the artificial intelligence era P Schneider, WP Walters, AT Plowright, N Sieroka, J Listgarten, ... Nature Reviews Drug Discovery 19 (5), 353-364, 2020 | 467 | 2020 |
| Generative Recurrent Networks for De Novo Drug Design A Gupta, AT Müller, BJH Huisman, JA Fuchs, P Schneider, G Schneider Molecular informatics 37 (1-2), 1700111, 2018 | 440 | 2018 |
| Predicting drug metabolism: experiment and/or computation? J Kirchmair, AH Göller, D Lang, J Kunze, B Testa, ID Wilson, RC Glen, ... Nature reviews Drug discovery 14 (6), 387-404, 2015 | 421 | 2015 |
| PocketPicker: analysis of ligand binding-sites with shape descriptors M Weisel, E Proschak, G Schneider Chemistry Central Journal 1 (1), 1-17, 2007 | 397 | 2007 |
| Support vector machine applications in bioinformatics. E Byvatov, G Schneider Applied bioinformatics 2 (2), 67-77, 2003 | 396 | 2003 |
| Optimized Particle Swarm Optimization (OPSO) and its application to artificial neural network training M Meissner, M Schmuker, G Schneider BMC bioinformatics 7 (1), 1-11, 2006 | 386 | 2006 |
| Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial libraries ML Lee, G Schneider Journal of combinatorial chemistry 3 (3), 284-289, 2001 | 371 | 2001 |
| Development of a virtual screening method for identification of “frequent hitters” in compound libraries O Roche, P Schneider, J Zuegge, W Guba, M Kansy, A Alanine, ... Journal of medicinal chemistry 45 (1), 137-142, 2002 | 330 | 2002 |
| De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks G Schneider, ML Lee, M Stahl, P Schneider Journal of computer-aided molecular design 14, 487-494, 2000 | 320 | 2000 |
