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Stefan Kuhn
Stefan Kuhn
Lecturer
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The Chemistry Development Kit (CDK): An open-source Java library for chemo-and bioinformatics
C Steinbeck, Y Han, S Kuhn, O Horlacher, E Luttmann, E Willighagen
Journal of chemical information and computer sciences 43 (2), 493-500, 2003
11932003
Recent developments of the chemistry development kit (CDK)-an open-source java library for chemo-and bioinformatics
C Steinbeck, C Hoppe, S Kuhn, M Floris, R Guha, EL Willighagen
Current pharmaceutical design 12 (17), 2111-2120, 2006
5602006
The Chemistry Development Kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
Journal of cheminformatics 9, 1-19, 2017
4342017
NMRShiftDB constructing a free chemical information system with open-source components
C Steinbeck, S Krause, S Kuhn
Journal of chemical information and computer sciences 43 (6), 1733-1739, 2003
1852003
Bioclipse: an open source workbench for chemo-and bioinformatics
O Spjuth, T Helmus, EL Willighagen, S Kuhn, M Eklund, J Wagener, ...
BMC bioinformatics 8, 1-10, 2007
1522007
Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction
S Kuhn, B Egert, S Neumann, C Steinbeck
BMC bioinformatics 9, 1-19, 2008
1502008
NMRShiftDB–compound identification and structure elucidation support through a free community-built web database
C Steinbeck, S Kuhn
Phytochemistry 65 (19), 2711-2717, 2004
1432004
Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2–a free in‐house NMR database with integrated LIMS for academic service laboratories
S Kuhn, NE Schlörer
Magnetic Resonance in Chemistry 53 (8), 582-589, 2015
1022015
Rapid prediction of NMR spectral properties with quantified uncertainty
E Jonas, S Kuhn
Journal of cheminformatics 11, 1-7, 2019
892019
NMReDATA, a standard to report the NMR assignment and parameters of organic compounds
M Pupier, JM Nuzillard, J Wist, NE Schlörer, S Kuhn, M Erdelyi, ...
Magnetic Resonance in Chemistry 56 (8), 703-715, 2018
782018
Bioclipse 2: A scriptable integration platform for the life sciences
O Spjuth, J Alvarsson, A Berg, M Eklund, S Kuhn, C Mäsak, G Torrance, ...
BMC bioinformatics 10, 1-5, 2009
742009
Prediction of chemical shift in NMR: A review
E Jonas, S Kuhn, N Schlörer
Magnetic Resonance in Chemistry 60 (11), 1021-1031, 2022
552022
Chemical markup, XML, and the world wide web. 7. CMLSpect, an XML vocabulary for spectral data
S Kuhn, T Helmus, RJ Lancashire, P Murray-Rust, HS Rzepa, ...
Journal of chemical information and modeling 47 (6), 2015-2034, 2007
512007
Evolving deep learning convolutional neural networks for early COVID-19 detection in chest X-ray images
M Khishe, F Caraffini, S Kuhn
Mathematics 9 (9), 1002, 2021
442021
Stereo-aware extension of HOSE codes
S Kuhn, SR Johnson
ACS omega 4 (4), 7323-7329, 2019
282019
An integrated approach for mixture analysis using MS and NMR techniques
S Kuhn, S Colreavy-Donnelly, JS de Souza, RM Borges
Faraday Discussions 218, 339-353, 2019
272019
The C6H6 NMR repository: an integral solution to control the flow of your data from the magnet to the public
L Patiny, M Zasso, D Kostro, A Bernal, AM Castillo, A Bolaños, ...
Magnetic Resonance in Chemistry 56 (6), 520-528, 2018
272018
A calculus for local reversibility
S Kuhn, I Ulidowski
International Conference on Reversible Computation, 20-35, 2016
272016
Local reversibility in a calculus of covalent bonding
S Kuhn, I Ulidowski
Science of Computer Programming 151, 18-47, 2018
242018
A proposed vr platform for supporting blended learning post covid-19
S Colreavy-Donelly, A Ryan, S O’Connor, F Caraffini, S Kuhn, S Hasshu
Education Sciences 12 (7), 435, 2022
22*2022
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Artículos 1–20