Stefan Kuhn
Stefan Kuhn
Lecturer
Verified email at dmu.ac.uk
Title
Cited by
Cited by
Year
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
9242003
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
4782006
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), 33, 2017
1562017
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), 1-10, 2007
1312007
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
1162003
NMRShiftDB–compound identification and structure elucidation support through a free community-built web database
C Steinbeck, S Kuhn
Phytochemistry 65 (19), 2711-2717, 2004
1012004
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), 400, 2008
912008
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), 1-5, 2009
652009
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
432007
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
302015
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
262018
A calculus for local reversibility
S Kuhn, I Ulidowski
International Conference on Reversible Computation, 20-35, 2016
212016
Local reversibility and the Calculus of Covalent Bonding
S Kuhn
University Of Leicester, 2019
142019
Local reversibility in a calculus of covalent bonding
S Kuhn, I Ulidowski
Science of Computer Programming 151, 18-47, 2018
142018
Rapid prediction of NMR spectral properties with quantified uncertainty
E Jonas, S Kuhn
Journal of cheminformatics 11 (1), 1-7, 2019
112019
Towards modelling of local reversibility
S Kuhn, I Ulidowski
International Conference on Reversible Computation, 279-284, 2015
102015
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
72018
From chemical shift data through prediction to assignment and NMR LIMS-multiple functionalities of nmrshiftdb2
S Kuhn, NE Schlörer, H Kolshorn, R Stoll
Journal of cheminformatics 4 (1), 1-1, 2012
42012
An Applet Release of JChemPaint
S Kuhn
CDK News 3 (1), 21-23, 2006
42006
Simulation of base excision repair in the calculus of covalent bonding
S Kuhn
International Conference on Reversible Computation, 123-129, 2018
32018
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Articles 1–20