Thomas Sander - researchr alias

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Viewing Publication 1 - 22 from 22

2023

Fast Substructure Search in Combinatorial Library SpacesThomas Liphardt, Thomas Sander. jcisd, 63(16):5133-5141, August 2023. [doi]

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open DatabaseAntanas Vaitkus, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A. Thiessen, Evan E. Bolton, Saulius Grazulis. jcheminf, 15(1):123, December 2023. [doi]

2022

Fully Automated Creation of Virtual Chemical Fragment Spaces Using the Open-Source Library OpenChemLibJoel Wahl, Thomas Sander. jcisd, 62(9):2202-2211, 2022. [doi]

2020

Tautobase: An Open Tautomer DatabaseOya Wahl, Thomas Sander. jcisd, 60(3):1085-1089, 2020. [doi]

2019

Predictive Power of Time-Series Based Machine Learning Models for DMPK Measurements in Drug DiscoveryModest von Korff, Olivier Corminboeuf, John Gatfield, Sébastien Jeay, Isabelle Reymond, Thomas Sander. icann 2019: 741-746 [doi]

Accuracy evaluation and addition of improved dihedral parameters for the MMFF94sJoel Wahl, Joël Freyss, Modest von Korff, Thomas Sander. jcheminf, 11(1), 2019. [doi]

2017

A New Relevance Estimator for the Compilation and Visualization of Disease Patterns and Potential Drug TargetsModest von Korff, Tobias Fink, Thomas Sander. psb 2017: 312-323 [doi]

2015

2012

Fighting High Molecular Weight in Bioactive Molecules with Sub-Pharmacophore-Based Virtual ScreeningModest von Korff, Joël Freyss, Thomas Sander, Christoph Boss, Claire-Lise Ciana. jcisd, 52(2):380-390, 2012. [doi]

Compound color recognition via image analysis on high-throughput compound librariesModest von Korff, Joël Freyss, Axel Klenk, Joao Silva, Geoffroy Bourquin, Oliver Peter, Thomas Sander. icpr 2012: 1289-1293 [doi]

2011

108/158Met genotype modulates human sensory gatingTomislav Majic, Johannes Rentzsch, Yehonala Gudlowski, Stefan Ehrlich, Georg Juckel, Thomas Sander, Undine E. Lang, Georg Winterer, Jürgen Gallinat. neuroimage, 55(2):818-824, 2011. [doi]

2010

2009

OSIRIS, an Entirely in-House Developed Drug Discovery Informatics SystemThomas Sander, Joël Freyss, Modest von Korff, Jacqueline Renée Reich, Christian Rufener. jcisd, 49(2):232-246, 2009. [doi]

Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data SetModest von Korff, Joël Freyss, Thomas Sander. jcisd, 49(2):209-231, 2009. [doi]

2008

2007

Genetic Variations of the NR3A Subunit of the NMDA Receptor Modulate Prefrontal Cerebral Activity in HumansJÃ¼rgen Gallinat, Thomas GÃ¶tz, Peter Kalus, Malek Bajbouj, Thomas Sander, Georg Winterer. jocn, 19(1):59-68, 2007. [doi]

2006

Toxicity-Indicating Structural PatternsModest von Korff, Thomas Sander. jcisd, 46(2):536-544, 2006. [doi]

1995

COGNOS: A Beilstein-Type System for Organizing Organic ReactionsJames B. Hendrickson, Thomas Sander. jcisd, 35(2):251-260, 1995.

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