| Year |
Citation |
Score |
| 2023 |
Zulfiqar M, Stettin D, Schmidt S, Nikitashina V, Pohnert G, Steinbeck C, Peters K, Sorokina M. Untargeted metabolomics to expand the chemical space of the marine diatom . Frontiers in Microbiology. 14: 1295994. PMID 38116530 DOI: 10.3389/fmicb.2023.1295994 |
0.5 |
|
| 2023 |
Chandrasekhar V, Sharma N, Schaub J, Steinbeck C, Rajan K. Cheminformatics Microservice: unifying access to open cheminformatics toolkits. Journal of Cheminformatics. 15: 98. PMID 37845745 DOI: 10.1186/s13321-023-00762-4 |
0.309 |
|
| 2022 |
Rutz A, Sorokina M, Galgonek J, Mietchen D, Willighagen E, Gaudry A, Graham JG, Stephan R, Page R, Vondrášek J, Steinbeck C, Pauli GF, Wolfender JL, Bisson J, Allard PM. The LOTUS initiative for open knowledge management in natural products research. Elife. 11. PMID 35616633 DOI: 10.7554/eLife.70780 |
0.603 |
|
| 2022 |
Sorokina M, Barth E, Zulfiqar M, Kwantes M, Pohnert G, Steinbeck C. Draft genome assembly and sequencing dataset of the marine diatom cf. RCC75. Data in Brief. 41: 107931. PMID 35242913 DOI: 10.1016/j.dib.2022.107931 |
0.442 |
|
| 2020 |
Sorokina M, Steinbeck C. Review on natural products databases: where to find data in 2020 Journal of Cheminformatics. 12: 1-51. PMID 33431011 DOI: 10.1186/S13321-020-00424-9 |
0.34 |
|
| 2020 |
Steinbeck C, Koepler O, Bach F, Herres-Pawlis S, Jung N, Liermann J, Neumann S, Razum M, Baldauf C, Biedermann F, Bocklitz T, Boehm F, Broda F, Czodrowski P, Engel T, et al. NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany Research Ideas and Outcomes. 6. DOI: 10.3897/Rio.6.E55852 |
0.374 |
|
| 2019 |
Sorokina M, Steinbeck C. NaPLeS: a natural products likeness scorer-web application and database. Journal of Cheminformatics. 11: 55. PMID 31399811 DOI: 10.1186/S13321-019-0378-Z |
0.371 |
|
| 2019 |
Herres‐Pawlis S, Koepler O, Steinbeck C. NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry Angewandte Chemie. 58: 10766-10768. PMID 31313429 DOI: 10.1002/Anie.201907260 |
0.306 |
|
| 2019 |
Helfrich EJN, Ueoka R, Dolev A, Rust M, Meoded RA, Bhushan A, Califano G, Costa R, Gugger M, Steinbeck C, Moreno P, Piel J. Automated structure prediction of trans-acyltransferase polyketide synthase products. Nature Chemical Biology. PMID 31308532 DOI: 10.1038/S41589-019-0313-7 |
0.569 |
|
| 2019 |
Fritsch S, Neumann S, Schaub J, Steinbeck C, Zielesny A. ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK) Journal of Cheminformatics. 11: 1-8. PMID 31165338 DOI: 10.1186/S13321-019-0361-8 |
0.333 |
|
| 2019 |
Emami Khoonsari P, Moreno P, Bergmann S, Burman J, Capuccini M, Carone M, Cascante M, de Atauri P, Foguet C, Gonzalez-Beltran A, Hankemeier T, Haug K, He S, Herman S, Johnson D, ... ... Steinbeck C, et al. Interoperable and scalable data analysis with microservices: Applications in Metabolomics. Bioinformatics (Oxford, England). PMID 30851093 DOI: 10.1093/Bioinformatics/Btz160 |
0.348 |
|
| 2018 |
Peters K, Bradbury J, Bergmann S, Capuccini M, Cascante M, de Atauri P, Ebbels TMD, Foguet C, Glen R, Gonzalez-Beltran A, Günther UL, Handakas E, Hankemeier T, Haug K, Herman S, ... ... Steinbeck C, et al. PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud. Gigascience. PMID 30535405 DOI: 10.1093/Gigascience/Giy149 |
0.384 |
|
| 2018 |
McAlpine JB, Chen SN, Kutateladze A, MacMillan JB, Appendino G, Barison A, Beniddir MA, Biavatti MW, Bluml S, Boufridi A, Butler MS, Capon RJ, Choi YH, Coppage D, Crews P, ... ... Steinbeck C, et al. The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural Product Reports. PMID 30003207 DOI: 10.1039/C7Np00064B |
0.354 |
|
| 2018 |
Peters K, Worrich A, Weinhold A, Alka O, Balcke G, Birkemeyer C, Bruelheide H, Calf OW, Dietz S, Dührkop K, Gaquerel E, Heinig U, Kücklich M, Macel M, Müller C, ... ... Steinbeck C, et al. Current Challenges in Plant Eco-Metabolomics. International Journal of Molecular Sciences. 19. PMID 29734799 DOI: 10.3390/Ijms19051385 |
0.517 |
|
| 2018 |
Pupier M, Nuzillard JM, Wist J, Schlörer NE, Kuhn S, Erdelyi M, Steinbeck C, Williams AJ, Butts C, Claridge TDW, Mikhova B, Robien W, Dashti H, Eghbalnia HR, Farès C, et al. NMReDATA, a standard to report the NMR assignment and parameters of organic compounds. Magnetic Resonance in Chemistry : Mrc. PMID 29656574 DOI: 10.1002/Mrc.4737 |
0.387 |
|
| 2018 |
Ritter M, Neupane S, Seidel RA, Steinbeck C, Pohnert G. In vivo and in vitro identification of Z-BOX C - a new bilirubin oxidation end product. Organic & Biomolecular Chemistry. PMID 29532847 DOI: 10.1039/C8Ob00164B |
0.487 |
|
| 2018 |
Spicer RA, Steinbeck C. A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it. Metabolomics : Official Journal of the Metabolomic Society. 14: 16. PMID 29479297 DOI: 10.1007/S11306-017-1309-5 |
0.321 |
|
| 2017 |
Willighagen EL, Mayfield JW, Alvarsson J, Berg A, Carlsson L, Jeliazkova N, Kuhn S, Pluskal T, Rojas-Chertó M, Spjuth O, Torrance G, Evelo CT, Guha R, Steinbeck C. Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. Journal of Cheminformatics. 9: 53. PMID 29086079 DOI: 10.1186/s13321-017-0231-1 |
0.502 |
|
| 2017 |
Willighagen EL, Mayfield JW, Alvarsson J, Berg A, Carlsson L, Jeliazkova N, Kuhn S, Pluskal T, Rojas-Chertó M, Spjuth O, Torrance G, Evelo CT, Guha R, Steinbeck C. The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. Journal of Cheminformatics. 9: 33. PMID 29086040 DOI: 10.1186/S13321-017-0220-4 |
0.621 |
|
| 2017 |
van Rijswijk M, Beirnaert C, Caron C, Cascante M, Dominguez V, Dunn WB, Ebbels TMD, Giacomoni F, Gonzalez-Beltran A, Hankemeier T, Haug K, Izquierdo-Garcia JL, Jimenez RC, Jourdan F, Kale N, ... ... Steinbeck C, et al. The future of metabolomics in ELIXIR. F1000research. 6. PMID 29043062 DOI: 10.12688/F1000Research.12342.2 |
0.598 |
|
| 2017 |
Schober D, Jacob D, Wilson M, Cruz JA, Marcu A, Grant JR, Moing A, Deborde C, de Figueiredo LF, Haug K, Rocca-Serra P, Easton JM, Ebbels TMD, Hao J, Ludwig C, ... ... Steinbeck C, et al. nmrML: a community supported open data standard for the description, storage, and exchange of NMR data. Analytical Chemistry. PMID 29035042 DOI: 10.1021/Acs.Analchem.7B02795 |
0.425 |
|
| 2017 |
Spicer RA, Salek R, Steinbeck C. Compliance with minimum information guidelines in public metabolomics repositories. Scientific Data. 4: 170137. PMID 28949328 DOI: 10.1038/Sdata.2017.137 |
0.353 |
|
| 2017 |
Spicer R, Salek RM, Moreno P, Cañueto D, Steinbeck C. Navigating freely-available software tools for metabolomics analysis. Metabolomics : Official Journal of the Metabolomic Society. 13: 106. PMID 28890673 DOI: 10.1007/S11306-017-1242-7 |
0.36 |
|
| 2017 |
Salek RM, Conesa P, Cochrane K, Haug K, Williams M, Kale N, Moreno P, Jayaseelan KV, Macias JR, Nainala VC, Hall RD, Reed LK, Viant MR, O'Donovan C, Steinbeck C. Automated assembly of species metabolomes through data submission into a public repository. Gigascience. 6: 1-4. PMID 28830114 DOI: 10.1093/Gigascience/Gix062 |
0.35 |
|
| 2017 |
Perez-Riverol Y, Bai M, da Veiga Leprevost F, Squizzato S, Park YM, Haug K, Carroll AJ, Spalding D, Paschall J, Wang M, Del-Toro N, Ternent T, Zhang P, Buso N, Bandeira N, ... ... Steinbeck C, et al. Discovering and linking public omics data sets using the Omics Discovery Index. Nature Biotechnology. 35: 406-409. PMID 28486464 DOI: 10.1038/Nbt.3790 |
0.302 |
|
| 2017 |
Larralde M, Lawson TN, Weber RJ, Moreno P, Haug K, Rocca-Serra P, Viant MR, Steinbeck C, Salek RM. mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data. Bioinformatics (Oxford, England). PMID 28402395 DOI: 10.1093/Bioinformatics/Btx169 |
0.362 |
|
| 2017 |
Haug K, Salek RM, Steinbeck C. Global open data management in metabolomics. Current Opinion in Chemical Biology. 36: 58-63. PMID 28092796 DOI: 10.1016/J.Cbpa.2016.12.024 |
0.39 |
|
| 2016 |
Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, Wishart DS. ClassyFire: automated chemical classification with a comprehensive, computable taxonomy. Journal of Cheminformatics. 8: 61. PMID 27867422 DOI: 10.1186/S13321-016-0174-Y |
0.362 |
|
| 2016 |
Wohlgemuth G, Mehta SS, Mejia RF, Neumann S, Pedrosa D, Pluskal T, Schymanski EL, Willighagen EL, Wilson M, Wishart DS, Arita M, Dorrestein PC, Bandeira N, Wang M, Schulze T, ... ... Steinbeck C, et al. SPLASH, a hashed identifier for mass spectra. Nature Biotechnology. 34: 1099-1101. PMID 27824832 DOI: 10.1038/Nbt.3689 |
0.541 |
|
| 2016 |
Kale NS, Haug K, Conesa P, Jayseelan K, Moreno P, Rocca-Serra P, Nainala VC, Spicer RA, Williams M, Li X, Salek RM, Griffin JL, Steinbeck C. MetaboLights: An Open-Access Database Repository for Metabolomics Data. Current Protocols in Bioinformatics / Editoral Board, Andreas D. Baxevanis ... [Et Al.]. 53: 14.13.1-14.13.18. PMID 27010336 DOI: 10.1002/0471250953.Bi1413S53 |
0.406 |
|
| 2016 |
Swainston N, Hastings J, Dekker A, Muthukrishnan V, May J, Steinbeck C, Mendes P. libChEBI: an API for accessing the ChEBI database. Journal of Cheminformatics. 8: 11. PMID 26933452 DOI: 10.1186/S13321-016-0123-9 |
0.441 |
|
| 2016 |
Emwas AH, Roy R, McKay RT, Ryan D, Brennan L, Tenori L, Luchinat C, Gao X, Zeri AC, Gowda GA, Raftery D, Steinbeck C, Salek RM, Wishart DS. Recommendations and Standardization of Biomarker Quantification Using NMR-based Metabolomics with Particular Focus on Urinary Analysis. Journal of Proteome Research. PMID 26745651 DOI: 10.1021/Acs.Jproteome.5B00885 |
0.308 |
|
| 2016 |
Rocca-Serra P, Salek RM, Arita M, Correa E, Dayalan S, Gonzalez-Beltran A, Ebbels T, Goodacre R, Hastings J, Haug K, Koulman A, Nikolski M, Oresic M, Sansone SA, Schober D, ... ... Steinbeck C, et al. Data standards can boost metabolomics research, and if there is a will, there is a way. Metabolomics : Official Journal of the Metabolomic Society. 12: 14. PMID 26612985 DOI: 10.1007/S11306-015-0879-3 |
0.388 |
|
| 2015 |
Salek RM, Neumann S, Schober D, Hummel J, Billiau K, Kopka J, Correa E, Reijmers T, Rosato A, Tenori L, Turano P, Marin S, Deborde C, Jacob D, Rolin D, ... ... Steinbeck C, et al. COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access. Metabolomics : Official Journal of the Metabolomic Society. 11: 1587-1597. PMID 26491418 DOI: 10.1007/S11306-015-0810-Y |
0.408 |
|
| 2015 |
Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Research. PMID 26467479 DOI: 10.1093/Nar/Gkv1031 |
0.427 |
|
| 2015 |
Beisken S, Conesa P, Haug K, Salek RM, Steinbeck C. SpeckTackle: JavaScript charts for spectroscopy. Journal of Cheminformatics. 7: 17. PMID 25984241 DOI: 10.1186/S13321-015-0065-7 |
0.369 |
|
| 2015 |
Moreno P, Beisken S, Harsha B, Muthukrishnan V, Tudose I, Dekker A, Dornfeldt S, Taruttis F, Grosse I, Hastings J, Neumann S, Steinbeck C. BiNChE: a web tool and library for chemical enrichment analysis based on the ChEBI ontology. Bmc Bioinformatics. 16: 56. PMID 25879798 DOI: 10.1186/S12859-015-0486-3 |
0.38 |
|
| 2015 |
Hastings J, Jeliazkova N, Owen G, Tsiliki G, Munteanu CR, Steinbeck C, Willighagen E. eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment. Journal of Biomedical Semantics. 6: 10. PMID 25815161 DOI: 10.1186/S13326-015-0005-5 |
0.619 |
|
| 2015 |
Morgat A, Axelsen KB, Lombardot T, Alcántara R, Aimo L, Zerara M, Niknejad A, Belda E, Hyka-Nouspikel N, Coudert E, Redaschi N, Bougueleret L, Steinbeck C, Xenarios I, Bridge A. Updates in Rhea--a manually curated resource of biochemical reactions. Nucleic Acids Research. 43: D459-64. PMID 25332395 DOI: 10.1093/Nar/Gku961 |
0.31 |
|
| 2014 |
Beisken S, Earll M, Portwood D, Seymour M, Steinbeck C. MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics. Molecular Informatics. 33: 307-310. PMID 26279687 DOI: 10.1002/Minf.201400016 |
0.358 |
|
| 2014 |
Beisken S, Earll M, Baxter C, Portwood D, Ament Z, Kende A, Hodgman C, Seymour G, Smith R, Fraser P, Seymour M, Salek RM, Steinbeck C. Metabolic differences in ripening of Solanum lycopersicum 'Ailsa Craig' and three monogenic mutants. Scientific Data. 1: 140029. PMID 25977786 DOI: 10.1038/Sdata.2014.29 |
0.332 |
|
| 2014 |
Hastings J, Haug K, Steinbeck C. Ten recommendations for software engineering in research. Gigascience. 3: 31. PMID 25685331 DOI: 10.1186/2047-217X-3-31 |
0.306 |
|
| 2014 |
Truszkowski A, Daniel M, Kuhn H, Neumann S, Steinbeck C, Zielesny A, Epple M. A molecular fragment cheminformatics roadmap for mesoscopic simulation. Journal of Cheminformatics. 6: 45. PMID 25383098 DOI: 10.1186/S13321-014-0045-3 |
0.317 |
|
| 2014 |
Venkata C, Forster MJ, Howe PW, Steinbeck C. The potential utility of predicted one bond carbon-proton coupling constants in the structure elucidation of small organic molecules by NMR spectroscopy. Plos One. 9: e111576. PMID 25365289 DOI: 10.1371/Journal.Pone.0111576 |
0.312 |
|
| 2014 |
Jayaseelan KV, Steinbeck C. Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking. Bmc Bioinformatics. 15: 234. PMID 24996690 DOI: 10.1186/1471-2105-15-234 |
0.356 |
|
| 2014 |
Griss J, Jones AR, Sachsenberg T, Walzer M, Gatto L, Hartler J, Thallinger GG, Salek RM, Steinbeck C, Neuhauser N, Cox J, Neumann S, Fan J, Reisinger F, Xu QW, et al. The mzTab data exchange format: communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience. Molecular & Cellular Proteomics : McP. 13: 2765-75. PMID 24980485 DOI: 10.1074/Mcp.O113.036681 |
0.377 |
|
| 2014 |
May JW, Steinbeck C. Efficient ring perception for the Chemistry Development Kit. Journal of Cheminformatics. 6: 3. PMID 24479757 DOI: 10.1186/1758-2946-6-3 |
0.345 |
|
| 2013 |
Salek RM, Steinbeck C, Viant MR, Goodacre R, Dunn WB. The role of reporting standards for metabolite annotation and identification in metabolomic studies. Gigascience. 2: 13. PMID 24131531 DOI: 10.1186/2047-217X-2-13 |
0.352 |
|
| 2013 |
Beisken S, Meinl T, Wiswedel B, de Figueiredo LF, Berthold M, Steinbeck C. KNIME-CDK: Workflow-driven cheminformatics. Bmc Bioinformatics. 14: 257. PMID 24103053 DOI: 10.1186/1471-2105-14-257 |
0.438 |
|
| 2013 |
Tudose I, Hastings J, Muthukrishnan V, Owen G, Turner S, Dekker A, Kale N, Ennis M, Steinbeck C. OntoQuery: easy-to-use web-based OWL querying. Bioinformatics (Oxford, England). 29: 2955-7. PMID 24008420 DOI: 10.1093/Bioinformatics/Btt514 |
0.38 |
|
| 2013 |
Hill DP, Adams N, Bada M, Batchelor C, Berardini TZ, Dietze H, Drabkin HJ, Ennis M, Foulger RE, Harris MA, Hastings J, Kale NS, de Matos P, Mungall CJ, Owen G, ... ... Steinbeck C, et al. Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology. Bmc Genomics. 14: 513. PMID 23895341 DOI: 10.1186/1471-2164-14-513 |
0.334 |
|
| 2013 |
May JW, James AG, Steinbeck C. Metingear: a development environment for annotating genome-scale metabolic models. Bioinformatics (Oxford, England). 29: 2213-5. PMID 23766418 DOI: 10.1093/Bioinformatics/Btt342 |
0.359 |
|
| 2013 |
Salek RM, Haug K, Steinbeck C. Dissemination of metabolomics results: role of MetaboLights and COSMOS. Gigascience. 2: 8. PMID 23683662 DOI: 10.1186/2047-217X-2-8 |
0.374 |
|
| 2013 |
Foster JM, Moreno P, Fabregat A, Hermjakob H, Steinbeck C, Apweiler R, Wakelam MJ, VizcaÃno JA. LipidHome: a database of theoretical lipids optimized for high throughput mass spectrometry lipidomics. Plos One. 8: e61951. PMID 23667450 DOI: 10.1371/Journal.Pone.0061951 |
0.361 |
|
| 2013 |
Salek RM, Haug K, Conesa P, Hastings J, Williams M, Mahendraker T, Maguire E, González-Beltrán AN, Rocca-Serra P, Sansone SA, Steinbeck C. The MetaboLights repository: curation challenges in metabolomics. Database : the Journal of Biological Databases and Curation. 2013: bat029. PMID 23630246 DOI: 10.1093/Database/Bat029 |
0.37 |
|
| 2013 |
de Matos P, Cham JA, Cao H, Alcántara R, Rowland F, Lopez R, Steinbeck C. The Enzyme Portal: a case study in applying user-centred design methods in bioinformatics. Bmc Bioinformatics. 14: 103. PMID 23514033 DOI: 10.1186/1471-2105-14-103 |
0.352 |
|
| 2013 |
Hastings J, de Matos P, Dekker A, Ennis M, Harsha B, Kale N, Muthukrishnan V, Owen G, Turner S, Williams M, Steinbeck C. The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013. Nucleic Acids Research. 41: D456-63. PMID 23180789 DOI: 10.1093/Nar/Gks1146 |
0.412 |
|
| 2013 |
Alcántara R, Onwubiko J, Cao H, Matos Pd, Cham JA, Jacobsen J, Holliday GL, Fischer JD, Rahman SA, Jassal B, Goujon M, Rowland F, Velankar S, López R, Overington JP, ... ... Steinbeck C, et al. The EBI enzyme portal. Nucleic Acids Research. 41: D773-80. PMID 23175605 DOI: 10.1093/Nar/Gks1112 |
0.35 |
|
| 2013 |
Haug K, Salek RM, Conesa P, Hastings J, de Matos P, Rijnbeek M, Mahendraker T, Williams M, Neumann S, Rocca-Serra P, Maguire E, González-Beltrán A, Sansone SA, Griffin JL, Steinbeck C. MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data. Nucleic Acids Research. 41: D781-6. PMID 23109552 DOI: 10.1093/Nar/Gks1004 |
0.406 |
|
| 2013 |
Hastings J, Conesa P, Dekker A, Ennis M, Haug K, Jayaseelan KV, Kale N, Mahendraker T, Moreno P, Muthukrishnan V, Owen G, Salek RM, Turner S, Steinbeck C. Expanding natural product chemistry resources at the EBI Journal of Cheminformatics. 5: 43. DOI: 10.1186/1758-2946-5-S1-P43 |
0.396 |
|
| 2013 |
Steinbeck C. Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov Journal of Cheminformatics. 5: 29-29. DOI: 10.1186/1758-2946-5-29 |
0.37 |
|
| 2012 |
Steinbeck C, Conesa P, Haug K, Mahendraker T, Williams M, Maguire E, Rocca-Serra P, Sansone SA, Salek RM, Griffin JL. MetaboLights: towards a new COSMOS of metabolomics data management. Metabolomics : Official Journal of the Metabolomic Society. 8: 757-760. PMID 23060735 DOI: 10.1007/S11306-012-0462-0 |
0.391 |
|
| 2012 |
Hastings J, Josephs Z, Steinbeck C. Accessing and using chemical property databases. Methods in Molecular Biology (Clifton, N.J.). 929: 193-219. PMID 23007431 DOI: 10.1007/978-1-62703-050-2_9 |
0.377 |
|
| 2012 |
Pavelin K, Cham JA, de Matos P, Brooksbank C, Cameron G, Steinbeck C. Bioinformatics meets user-centred design: a perspective. Plos Computational Biology. 8: e1002554. PMID 22807660 DOI: 10.1371/Journal.Pcbi.1002554 |
0.353 |
|
| 2012 |
Jayaseelan KV, Moreno P, Truszkowski A, Ertl P, Steinbeck C. Natural product-likeness score revisited: an open-source, open-data implementation. Bmc Bioinformatics. 13: 106. PMID 22607271 DOI: 10.1186/1471-2105-13-106 |
0.359 |
|
| 2012 |
Hastings J, Magka D, Batchelor C, Duan L, Stevens R, Ennis M, Steinbeck C. Structure-based classification and ontology in chemistry. Journal of Cheminformatics. 4: 8. PMID 22480202 DOI: 10.1186/1758-2946-4-8 |
0.409 |
|
| 2012 |
Sansone SA, Rocca-Serra P, Field D, Maguire E, Taylor C, Hofmann O, Fang H, Neumann S, Tong W, Amaral-Zettler L, Begley K, Booth T, Bougueleret L, Burns G, Chapman B, ... ... Steinbeck C, et al. Toward interoperable bioscience data. Nature Genetics. 44: 121-6. PMID 22281772 DOI: 10.1038/Ng.1054 |
0.331 |
|
| 2012 |
Chepelev LL, Hastings J, Ennis M, Steinbeck C, Dumontier M. Self-organizing ontology of biochemically relevant small molecules. Bmc Bioinformatics. 13: 3. PMID 22221313 DOI: 10.1186/1471-2105-13-3 |
0.414 |
|
| 2012 |
Alcántara R, Axelsen KB, Morgat A, Belda E, Coudert E, Bridge A, Cao H, de Matos P, Ennis M, Turner S, Owen G, Bougueleret L, Xenarios I, Steinbeck C. Rhea--a manually curated resource of biochemical reactions. Nucleic Acids Research. 40: D754-60. PMID 22135291 DOI: 10.1093/Nar/Gkr1126 |
0.314 |
|
| 2012 |
de Matos P, Adams N, Hastings J, Moreno P, Steinbeck C. A database for chemical proteomics: ChEBI. Methods in Molecular Biology (Clifton, N.J.). 803: 273-96. PMID 22065232 DOI: 10.1007/978-1-61779-364-6_19 |
0.388 |
|
| 2012 |
Duan L, Hastings J, Matos Pd, Ennis M, Steinbeck C. Structured chemical class definitions and automated matching for chemical ontology evolution Journal of Cheminformatics. 4: 5. DOI: 10.1186/1758-2946-4-S1-P5 |
0.381 |
|
| 2012 |
Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, ... ... Steinbeck C, et al. Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group Nature Reviews Drug Discovery. 11: 730. DOI: 10.1038/Nrd3503-C2 |
0.515 |
|
| 2011 |
Truszkowski A, Jayaseelan KV, Neumann S, Willighagen EL, Zielesny A, Steinbeck C. New developments on the cheminformatics open workflow environment CDK-Taverna. Journal of Cheminformatics. 3: 54. PMID 22166170 DOI: 10.1186/1758-2946-3-54 |
0.627 |
|
| 2011 |
O'Boyle NM, Guha R, Willighagen EL, Adams SE, Alvarsson J, Bradley JC, Filippov IV, Hanson RM, Hanwell MD, Hutchison GR, James CA, Jeliazkova N, Lang AS, Langner KM, Lonie DC, ... ... Steinbeck C, et al. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. Journal of Cheminformatics. 3: 37. PMID 21999342 DOI: 10.1186/1758-2946-3-37 |
0.698 |
|
| 2011 |
Hastings J, Chepelev L, Willighagen E, Adams N, Steinbeck C, Dumontier M. The chemical information ontology: provenance and disambiguation for chemical data on the biological semantic web. Plos One. 6: e25513. PMID 21991315 DOI: 10.1371/Journal.Pone.0025513 |
0.631 |
|
| 2011 |
Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, ... ... Steinbeck C, et al. Minimum information about a bioactive entity (MIABE). Nature Reviews. Drug Discovery. 10: 661-9. PMID 21878981 DOI: 10.1038/Nrd3503 |
0.611 |
|
| 2011 |
Vita R, Peters B, Josephs Z, Matos Pd, Ennis M, Turner S, Steinbeck C, Seymour E, Zarebski L, Sette aA. A Model for Collaborative Curation, The IEDB and ChEBI Curation of Non-peptidic Epitopes Immunome Research. 2011: 0-0. DOI: 10.4172/1745-7580.1000040 |
0.316 |
|
| 2011 |
Truszkowski A, Neumann S, Zielesny A, Willighagen E, Steinbeck C. CDK-Taverna 2.0: Migration and enhancements of an open-source pipelining solution Journal of Cheminformatics. 3. DOI: 10.1186/1758-2946-3-S1-P5 |
0.604 |
|
| 2011 |
Moreno P, Jayaseelan KV, Steinbeck C. Towards automated metabolome assembly: Application of text mining to correlate small molecules, targets and tissues Journal of Cheminformatics. 3. DOI: 10.1186/1758-2946-3-S1-P19 |
0.359 |
|
| 2011 |
Steinbeck C, Kuhn S, Jayaseelan KV, Moreno P. Computational metabolomics - A field at the boundaries of cheminformatics and bioinformatics Journal of Cheminformatics. 3. DOI: 10.1186/1758-2946-3-S1-O6 |
0.371 |
|
| 2011 |
Hastings J, Adams N, Ennis M, Hull D, Steinbeck C. Chemical ontologies: What are they, what are they for and what are the challenges Journal of Cheminformatics. 3. DOI: 10.1186/1758-2946-3-S1-O4 |
0.416 |
|
| 2010 |
Apweiler R, Armstrong R, Bairoch A, Cornish-Bowden A, Halling PJ, Hofmeyr JH, Kettner C, Leyh TS, Rohwer J, Schomburg D, Steinbeck C, Tipton K. A large-scale protein-function database. Nature Chemical Biology. 6: 785. PMID 20956966 DOI: 10.1038/Nchembio.460 |
0.604 |
|
| 2010 |
Griffin JL, Steinbeck C. So what have data standards ever done for us? The view from metabolomics. Genome Medicine. 2: 38. PMID 20587079 DOI: 10.1186/Gm159 |
0.362 |
|
| 2010 |
Kuhn T, Willighagen EL, Zielesny A, Steinbeck C. CDK-Taverna: an open workflow environment for cheminformatics. Bmc Bioinformatics. 11: 159. PMID 20346188 DOI: 10.1186/1471-2105-11-159 |
0.638 |
|
| 2010 |
de Matos P, Alcántara R, Dekker A, Ennis M, Hastings J, Haug K, Spiteri I, Turner S, Steinbeck C. Chemical Entities of Biological Interest: an update. Nucleic Acids Research. 38: D249-54. PMID 19854951 DOI: 10.1093/Nar/Gkp886 |
0.372 |
|
| 2010 |
Matos Pd, Dekker A, Ennis M, Hastings J, Haug K, Turner S, Steinbeck C. ChEBI: a chemistry ontology and database Journal of Cheminformatics. 2: 6. DOI: 10.1186/1758-2946-2-S1-P6 |
0.447 |
|
| 2010 |
Kuhn S, Steinbeck C. Progress on an open source computer-assisted structure elucidation suite (SENECA) Journal of Cheminformatics. 2: 34. DOI: 10.1186/1758-2946-2-S1-P34 |
0.373 |
|
| 2010 |
Kuhn H, Neumann S, Steinbeck C, Wittekindt C, Zielesny A. Molecular fragments chemoinformatics Journal of Cheminformatics. 2: 14. DOI: 10.1186/1758-2946-2-S1-P14 |
0.315 |
|
| 2010 |
Josephs Z, Ennis M, Turner S, Owen G, Peters B, Vita R, Steinbeck C. Epitopes in ChEBI – A Collaboration with the IEDB Nature Precedings. 5: 1-1. DOI: 10.1038/Npre.2010.5094.1 |
0.344 |
|
| 2009 |
Rijnbeek M, Steinbeck C. OrChem - An open source chemistry search engine for Oracle(R). Journal of Cheminformatics. 1: 17. PMID 20298521 DOI: 10.1186/1758-2946-1-17 |
0.359 |
|
| 2009 |
Spjuth O, Alvarsson J, Berg A, Eklund M, Kuhn S, Mäsak C, Torrance G, Wagener J, Willighagen EL, Steinbeck C, Wikberg JE. Bioclipse 2: a scriptable integration platform for the life sciences. Bmc Bioinformatics. 10: 397. PMID 19958528 DOI: 10.1186/1471-2105-10-397 |
0.645 |
|
| 2009 |
Hastings J, Matos Pd, Ennis M, Steinbeck C. Towards automatic classification within the ChEBI ontology Nature Precedings. 4: 1-1. DOI: 10.1038/Npre.2009.3525.1 |
0.327 |
|
| 2008 |
Kuhn S, Egert B, Neumann S, Steinbeck C. Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction. Bmc Bioinformatics. 9: 400. PMID 18817546 DOI: 10.1186/1471-2105-9-400 |
0.342 |
|
| 2007 |
Willighagen EL, O'Boyle NM, Gopalakrishnan H, Jiao D, Guha R, Steinbeck C, Wild DJ. Userscripts for the life sciences. Bmc Bioinformatics. 8: 487. PMID 18154664 DOI: 10.1186/1471-2105-8-487 |
0.604 |
|
| 2007 |
Kuhn S, Helmus T, Lancashire RJ, Murray-Rust P, Rzepa HS, Steinbeck C, Willighagen EL. Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data. Journal of Chemical Information and Modeling. 47: 2015-34. PMID 17887743 DOI: 10.1021/Ci600531A |
0.698 |
|
| 2007 |
Schenk A, Xu Z, Pfeiffer C, Steinbeck C, Hertweck C. Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway. Angewandte Chemie (International Ed. in English). 46: 7035-8. PMID 17691088 DOI: 10.1002/Anie.200702033 |
0.424 |
|
| 2007 |
Spjuth O, Helmus T, Willighagen EL, Kuhn S, Eklund M, Wagener J, Murray-Rust P, Steinbeck C, Wikberg JE. Bioclipse: an open source workbench for chemo- and bioinformatics. Bmc Bioinformatics. 8: 59. PMID 17316423 DOI: 10.1186/1471-2105-8-59 |
0.702 |
|
| 2006 |
Steinbeck C, Hoppe C, Kuhn S, Floris M, Guha R, Willighagen EL. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. Current Pharmaceutical Design. 12: 2111-20. PMID 16796559 DOI: 10.2174/138161206777585274 |
0.625 |
|
| 2006 |
Guha R, Howard MT, Hutchison GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL. The Blue Obelisk-interoperability in chemical informatics. Journal of Chemical Information and Modeling. 46: 991-8. PMID 16711717 DOI: 10.1021/Ci050400B |
0.704 |
|
| 2004 |
Steinbeck C, Kuhn S. NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database. Phytochemistry. 65: 2711-7. PMID 15464159 DOI: 10.1016/J.Phytochem.2004.08.027 |
0.428 |
|
| 2004 |
Steinbeck C. Recent developments in automated structure elucidation of natural products. Natural Product Reports. 21: 512-8. PMID 15282633 DOI: 10.1039/B400678J |
0.316 |
|
| 2004 |
Han Y, Steinbeck C. Evolutionary-algorithm-based strategy for computer-assisted structure elucidation. Journal of Chemical Information and Computer Sciences. 44: 489-98. PMID 15032528 DOI: 10.1021/Ci034132Y |
0.319 |
|
| 2003 |
Steinbeck C, Krause S, Kuhn S. NMRShiftDB-constructing a free chemical information system with open-source components. Journal of Chemical Information and Computer Sciences. 43: 1733-9. PMID 14632418 DOI: 10.1021/Ci0341363 |
0.425 |
|
| 2003 |
Steinbeck C, Han Y, Kuhn S, Horlacher O, Luttmann E, Willighagen E. The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics. Journal of Chemical Information and Computer Sciences. 43: 493-500. PMID 12653513 DOI: 10.1021/Ci025584Y |
0.638 |
|
| 2001 |
Steinbeck C. SENECA: A platform-independent, distributed, and parallel system for computer-assisted structure elucidation in organic chemistry. Journal of Chemical Information and Computer Sciences. 41: 1500-7. PMID 11749575 DOI: 10.1021/Ci000407N |
0.342 |
|
| 2000 |
Krause S, Willighagen E, Steinbeck C. JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures Molecules. 5: 93-98. DOI: 10.3390/50100093 |
0.617 |
|
| 1999 |
Ho WC, Steinbeck C, Richert C. Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex (W-TGCGCAC)(2). Biochemistry. 38: 12597-606. PMID 10504228 DOI: 10.1021/Bi991169W |
0.508 |
|
| 1998 |
Steinbeck C, Richert C. The role of ionic backbones in RNA structure: An unusually stable non- Watson-Crick duplex of a nonionic analog in an apolar medium Journal of the American Chemical Society. 120: 11576-11580. DOI: 10.1021/Ja9817951 |
0.517 |
|
| 1997 |
Berlin K, Jain RK, Tetzlaff C, Steinbeck C, Richert C. Spectrometrically monitored selection experiments: quantitative laser desorption mass spectrometry of small chemical libraries. Chemistry & Biology. 4: 63-77. PMID 9070428 DOI: 10.1016/S1074-5521(97)90237-4 |
0.74 |
|
| 1997 |
Steinbeck C, Berlin K, Richert C. MASP - A program predicting mass spectra of combinatorial libraries Journal of Chemical Information and Computer Sciences. 37: 449-457. DOI: 10.1021/Ci960160N |
0.563 |
|
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