Christoph Steinbeck
TitleCited byYear
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
8532003
The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013
J Hastings, P de Matos, A Dekker, M Ennis, B Harsha, N Kale, ...
Nucleic Acids Research, 2012
5032012
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
4642006
The Blue Obelisk—interoperability in chemical informatics
R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, ...
Journal of chemical information and modeling 46 (3), 991-998, 2006
4602006
MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data
K Haug, RM Salek, P Conesa, J Hastings, P de Matos, M Rijnbeek, ...
Nucleic Acids Research, 2012
4382012
Chemical entities of biological interest: an update
P De Matos, R Alcántara, A Dekker, M Ennis, J Hastings, K Haug, I Spiteri, ...
Nucleic acids research 38 (suppl_1), D249-D254, 2009
3192009
Toward interoperable bioscience data
SA Sansone, P Rocca-Serra, D Field, E Maguire, C Taylor, O Hofmann, ...
Nature genetics 44 (2), 121, 2012
3112012
ChEBI in 2016: Improved services and an expanding collection of metabolites
J Hastings, G Owen, A Dekker, M Ennis, N Kale, V Muthukrishnan, ...
Nucleic acids research 44 (D1), D1214-D1219, 2015
1972015
The role of reporting standards for metabolite annotation and identification in metabolomic studies
RM Salek, C Steinbeck, MR Viant, R Goodacre, WB Dunn
GigaScience 2 (1), 13, 2013
1312013
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), 59, 2007
1252007
Recent developments in automated structure elucidation of natural products
C Steinbeck
Natural product reports 21 (4), 512-518, 2004
1042004
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
1012003
JChemPaint-using the collaborative forces of the internet to develop a free editor for 2D chemical structures
S Krause, E Willighagen, C Steinbeck
Molecules 5 (1), 93-98, 2000
962000
NMRShiftDB–compound identification and structure elucidation support through a free community-built web database
C Steinbeck, S Kuhn
Phytochemistry 65 (19), 2711-2717, 2004
942004
KNIME-CDK: Workflow-driven cheminformatics
S Beisken, T Meinl, B Wiswedel, LF de Figueiredo, M Berthold, ...
BMC bioinformatics 14 (1), 257, 2013
932013
The mzTab data exchange format: communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience
J Griss, AR Jones, T Sachsenberg, M Walzer, L Gatto, J Hartler, ...
Molecular & Cellular Proteomics 13 (10), 2765-2775, 2014
892014
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy
YD Feunang, R Eisner, C Knox, L Chepelev, J Hastings, G Owen, E Fahy, ...
Journal of cheminformatics 8 (1), 61, 2016
882016
Minimum information about a bioactive entity (MIABE)
S Orchard, B Al-Lazikani, S Bryant, D Clark, E Calder, I Dix, O Engkvist, ...
Nature reviews Drug discovery 10 (9), 661-669, 2011
852011
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
832017
Data standards can boost metabolomics research, and if there is a will, there is a way
P Rocca-Serra, RM Salek, M Arita, E Correa, S Dayalan, ...
Metabolomics 12 (1), 14, 2016
832016
The system can't perform the operation now. Try again later.
Articles 1–20