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Journal Articles
- 2023
[j18]Antanas Vaitkus
, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A. Thiessen, Evan E. Bolton, Saulius Grazulis:
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. J. Cheminformatics 15(1): 123 (2023)- [j17]Thomas Liphardt, Thomas Sander:
Fast Substructure Search in Combinatorial Library Spaces. J. Chem. Inf. Model. 63(16): 5133-5141 (2023) - 2022
- [j16]Joel Wahl, Thomas Sander:
Fully Automated Creation of Virtual Chemical Fragment Spaces Using the Open-Source Library OpenChemLib. J. Chem. Inf. Model. 62(9): 2202-2211 (2022) - 2020
- [j15]Oya Wahl, Thomas Sander:
Tautobase: An Open Tautomer Database. J. Chem. Inf. Model. 60(3): 1085-1089 (2020) - 2019
- [j14]Joel Wahl, Joël Freyss, Modest von Korff, Thomas Sander:
Accuracy evaluation and addition of improved dihedral parameters for the MMFF94s. J. Cheminformatics 11(1): 53:1-53:10 (2019) - 2015
- [j13]Peter Ertl, Luc Patiny, Thomas Sander, Christian Rufener, Michaël Zasso:
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia. J. Cheminformatics 7: 10 (2015) - [j12]Thomas Sander, Joël Freyss, Modest von Korff, Christian Rufener:
DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis. J. Chem. Inf. Model. 55(2): 460-473 (2015) - 2012
- [j11]Modest von Korff, Joël Freyss, Thomas Sander, Christoph Boss, Claire-Lise Ciana:
Fighting High Molecular Weight in Bioactive Molecules with Sub-Pharmacophore-Based Virtual Screening. J. Chem. Inf. Model. 52(2): 380-390 (2012) - 2011
- [j10]Tomislav Majic, Johannes Rentzsch, Yehonala Gudlowski, Stefan Ehrlich, Georg Juckel, Thomas Sander, Undine E. Lang, Georg Winterer, Jürgen Gallinat:
COMT Val108/158Met genotype modulates human sensory gating. NeuroImage 55(2): 818-824 (2011) - 2010
- [j9]Shu-Chen Li, Christian Chicherio, Lars Nyberg, Timo von Oertzen, Irene E. Nagel, Goran Papenberg, Thomas Sander, Hauke R. Heekeren, Ulman Lindenberger, Lars Bäckman:
Ebbinghaus Revisited: Influences of the BDNF Val66Met Polymorphism on Backward Serial Recall Are Modulated by Human Aging. J. Cogn. Neurosci. 22(10): 2164-2173 (2010) - [j8]Jürgen Gallinat, Florian Schubert, Rüdiger Brühl, Rainer Hellweg, Andreas Arthur Klär, Colin Kehrer, Christoph Wirth, Thomas Sander, Undine E. Lang:
Met carriers of BDNF Val66Met genotype show increased N-acetylaspartate concentration in the anterior cingulate cortex. NeuroImage 49(1): 767-771 (2010) - 2009
- [j7]Modest von Korff, Joël Freyss, Thomas Sander:
Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data Set. J. Chem. Inf. Model. 49(2): 209-231 (2009) - [j6]Thomas Sander, Joël Freyss, Modest von Korff, Jacqueline Renée Reich, Christian Rufener:
OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System. J. Chem. Inf. Model. 49(2): 232-246 (2009) - 2008
- [j5]Modest von Korff, Joël Freyss, Thomas Sander:
Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility. J. Chem. Inf. Model. 48(4): 797-810 (2008) - [j4]Katharina Schmack, Florian Schlagenhauf, Philipp Sterzer, Jana Wrase, Anne Beck, Theresa Dembler, Peter Kalus, Imke Puls, Thomas Sander, Andreas Heinz, Jürgen Gallinat:
Catechol-O-methyltransferase val158met genotype influences neural processing of reward anticipation. NeuroImage 42(4): 1631-1638 (2008) - 2007
- [j3]Jürgen Gallinat, Thomas Götz, Peter Kalus, Malek Bajbouj, Thomas Sander, Georg Winterer:
Genetic Variations of the NR3A Subunit of the NMDA Receptor Modulate Prefrontal Cerebral Activity in Humans. J. Cogn. Neurosci. 19(1): 59-68 (2007) - 2006
- [j2]Modest von Korff, Thomas Sander:
Toxicity-Indicating Structural Patterns. J. Chem. Inf. Model. 46(2): 536-544 (2006) - 1995
- [j1]James B. Hendrickson, Thomas Sander:
COGNOS: A Beilstein-Type System for Organizing Organic Reactions. J. Chem. Inf. Comput. Sci. 35(2): 251-260 (1995)
Conference and Workshop Papers
- 2019
- [c4]Modest von Korff, Olivier Corminboeuf, John Gatfield, Sébastien Jeay, Isabelle Reymond, Thomas Sander:
Predictive Power of Time-Series Based Machine Learning Models for DMPK Measurements in Drug Discovery. ICANN (Workshop) 2019: 741-746 - 2017
- [c3]Modest von Korff, Tobias Fink, Thomas Sander:
A New Relevance Estimator for the Compilation and Visualization of Disease Patterns and Potential Drug Targets. PSB 2017: 312-323 - 2015
- [c2]Modest von Korff, Bernard Deffarges, Thomas Sander:
Data Mining in MEDLINE for Disease-Disease Associations Via Second Order Co-Occurrence. SSCI 2015: 314-321 - 2012
- [c1]Modest von Korff, Joël Freyss, Axel Klenk, João Silva, Geoffroy Bourquin, Oliver Peter, Thomas Sander:
Compound color recognition via image analysis on high-throughput compound libraries. ICPR 2012: 1289-1293
Coauthor Index
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