DataWarrior: an open-source program for chemistry aware data visualization and analysis T Sander, J Freyss, M Von Korff, C Rufener Journal of chemical information and modeling 55 (2), 460-473, 2015 | 1402 | 2015 |
OSIRIS, an entirely in-house developed drug discovery informatics system T Sander, J Freyss, M von Korff, JR Reich, C Rufener Journal of chemical information and modeling 49 (2), 232-246, 2009 | 245 | 2009 |
A systematic evaluation of the benefits and hazards of variable selection in latent variable regression. Part I. Search algorithm, theory and simulations K Baumann, H Albert, M Von Korff Journal of Chemometrics: A Journal of the Chemometrics Society 16 (7), 339-350, 2002 | 117 | 2002 |
Comparison of ligand-and structure-based virtual screening on the DUD data set M von Korff, J Freyss, T Sander Journal of chemical information and modeling 49 (2), 209-231, 2009 | 107 | 2009 |
Toxicity-indicating structural patterns M von Korff, T Sander Journal of chemical information and modeling 46 (2), 536-544, 2006 | 80 | 2006 |
A systematic evaluation of the benefits and hazards of variable selection in latent variable regression. Part II. Practical applications K Baumann, M Von Korff, H Albert Journal of Chemometrics: A Journal of the Chemometrics Society 16 (7), 351-360, 2002 | 53 | 2002 |
Flexophore, a new versatile 3D pharmacophore descriptor that considers molecular flexibility M von Korff, J Freyss, T Sander Journal of chemical information and modeling 48 (4), 797-810, 2008 | 41 | 2008 |
Molecular complexity calculated by fractal dimension M von Korff, T Sander Scientific reports 9 (1), 967, 2019 | 34 | 2019 |
GPCR-tailored pharmacophore pattern recognition of small molecular ligands M von Korff, M Steger Journal of chemical information and computer sciences 44 (3), 1137-1147, 2004 | 29 | 2004 |
Accuracy evaluation and addition of improved dihedral parameters for the MMFF94s J Wahl, J Freyss, M von Korff, T Sander Journal of cheminformatics 11 (1), 53, 2019 | 26 | 2019 |
Stereochemical behaviour of κ-agonistic 2, 4-dipyridin-2-yl-3, 7-diazabicyclo [3.3. 1] nonanones—influence of the substituent in position N 3 U Kuhl, M von Korff, K Baumann, C Burschka, U Holzgrabe Journal of the Chemical Society, Perkin Transactions 2, 2037-2042, 2001 | 24 | 2001 |
The screening compound collection: a key asset for drug discovery C Boss, J Hazemann, T Kimmerlin, M von Korff, U Lüthi, O Peter, T Sander, ... Chimia 71 (10), 667-667, 2017 | 22 | 2017 |
Assessing the predictive power of unsupervised visualization techniques to improve the identification of GPCR-focused compound libraries M von Korff, K Hilpert Journal of chemical information and modeling 46 (4), 1580-1587, 2006 | 17 | 2006 |
About complexity and self-similarity of chemical structures in drug discovery M von Korff, T Sander Chaos and Complex Systems: Proceedings of the 4th International …, 2012 | 13 | 2012 |
Limits of prediction for machine learning in drug discovery M von Korff, T Sander Frontiers in Pharmacology 13, 832120, 2022 | 4 | 2022 |
Data mining in MEDLINE for disease-disease associations via second order co-occurrence M Von Korff, B Deffarges, T Sander 2015 IEEE Symposium Series on Computational Intelligence, 314-321, 2015 | 3 | 2015 |
Integration of distributed computing into the drug discovery process M von Korff, C Rufener, M Stritt, J Freyss, R Bär, T Sander Expert Opinion on Drug Discovery 6 (2), 103-107, 2011 | 3 | 2011 |
Neue Algorithmen zur Variablenselektion und Variablenwichtung in der Chemometrie M von Korff | 3 | 2001 |
Predictive power of time-series based machine learning models for DMPK Measurements in Drug Discovery M von Korff, O Corminboeuf, J Gatfield, S Jeay, I Reymond, T Sander International Conference on Artificial Neural Networks, 741-746, 2019 | 2 | 2019 |
A new relevance estimator for the compilation and visualization of disease patterns and potential drug targets M von Korff, T Fink, T Sander PACIFIC SYMPOSIUM ON BIOCOMPUTING 2017, 312-323, 2017 | 2 | 2017 |