TY - CHAP AU - Winkler-Nees, S. ED - Neuroth, H. ED - Strathmann, S. ED - Oßwald, A. ED - Ludwig, J. PY - 2013 DA - 2013// TI - Status of discussion and current activities: national developments BT - Digital curation of research, experiences of a baseline study in Germany PB - Werner Hülsbusch CY - Glückstadt ID - Winkler-Nees2013 ER - TY - JOUR AU - Stajich, J. AU - Lapp, H. PY - 2006 DA - 2006// TI - Open source tools and toolkits for bioinformatics: significance, and where are we? JO - Brief Bioinf VL - 7 UR - https://doi.org/10.1093/bib/bbl026 DO - 10.1093/bib/bbl026 ID - Stajich2006 ER - TY - JOUR AU - Owens, B. PY - 2016 DA - 2016// TI - Data sharing: access all areas JO - Nature VL - 533 UR - https://doi.org/10.1038/533S71a DO - 10.1038/533S71a ID - Owens2016 ER - TY - JOUR AU - Pirhadi, S. AU - Sunseri, J. AU - Koes, D. R. PY - 2016 DA - 2016// TI - Open source molecular modeling JO - J Mol Graph Model VL - 69 UR - https://doi.org/10.1016/j.jmgm.2016.07.008 DO - 10.1016/j.jmgm.2016.07.008 ID - Pirhadi2016 ER - TY - JOUR AU - Segler, M. H. AU - Waller, M. P. PY - 2017 DA - 2017// TI - Neural-symbolic machine learning for retrosynthesis and reaction prediction JO - Chem Eur J VL - 23 UR - https://doi.org/10.1002/chem.201605499 DO - 10.1002/chem.201605499 ID - Segler2017 ER - TY - JOUR AU - Christ, C. AU - Zentgraf, M. AU - Kriegl, J. PY - 2012 DA - 2012// TI - Mining electronic laboratory notebooks: analysis, retrosynthesis, and reaction based enumeration JO - J Chem Inf Model VL - 52 UR - https://doi.org/10.1021/ci300116p DO - 10.1021/ci300116p ID - Christ2012 ER - TY - JOUR AU - Campbell, P. PY - 2009 DA - 2009// TI - Data’s shameful neglect JO - Nature VL - 461 ID - Campbell2009 ER - TY - JOUR AU - Bird, C. AU - Frey, J. PY - 2013 DA - 2013// TI - Chemical information matters: an e-research perspective on information and data sharing in the chemical sciences JO - Chem Soc Rev VL - 42 UR - https://doi.org/10.1039/c3cs60050e DO - 10.1039/c3cs60050e ID - Bird2013 ER - TY - JOUR AU - Alsheikh-Ali, A. AU - Qureshi, W. AU - Al-Mallah, M. AU - Ioannidis, J. PY - 2011 DA - 2011// TI - Public availability of published research data in high-impact journals JO - Plos ONE VL - 6 UR - https://doi.org/10.1371/journal.pone.0024357 DO - 10.1371/journal.pone.0024357 ID - Alsheikh-Ali2011 ER - TY - JOUR AU - Szymkuć, S. AU - Gajewska, E. P. AU - Klucznik, T. AU - Molga, K. AU - Dittwald, P. AU - Startek, M. AU - Bajczyk, M. AU - Grzybowski, B. A. PY - 2016 DA - 2016// TI - Computer-assisted synthetic planning: the end of the beginning JO - Angew Chem Int Ed VL - 55 UR - https://doi.org/10.1002/anie.201506101 DO - 10.1002/anie.201506101 ID - Szymkuć2016 ER - TY - JOUR AU - Borgman, C. PY - 2012 DA - 2012// TI - The conundrum of sharing research data JO - J Am Soc Inf Sci Technol VL - 63 UR - https://doi.org/10.1002/asi.22634 DO - 10.1002/asi.22634 ID - Borgman2012 ER - TY - JOUR AU - Ghosh, S. AU - Matsuoka, Y. AU - Asai, Y. AU - Hsin, K. AU - Kitano, H. PY - 2011 DA - 2011// TI - Software for systems biology: from tools to integrated platforms JO - Nat Rev Genet VL - 12 ID - Ghosh2011 ER - TY - JOUR AU - Butler, D. PY - 2017 DA - 2017// TI - Gates Foundation announces open-access publishing venture JO - Nature VL - 543 UR - https://doi.org/10.1038/nature.2017.21700 DO - 10.1038/nature.2017.21700 ID - Butler2017 ER - TY - JOUR AU - Lawrence, K. PY - 2017 DA - 2017// TI - Open access is evolving and ChemistryOpen is too! JO - Chemistryopen VL - 6 UR - https://doi.org/10.1002/open.201600165 DO - 10.1002/open.201600165 ID - Lawrence2017 ER - TY - STD TI - Scifinder (2017) Chemical abstracts service. http://www.cas.org/products/scifinder UR - http://www.cas.org/products/scifinder ID - ref15 ER - TY - STD TI - Reaxys (2017) Elsevier. https://www.elsevier.com/solutions/reaxys UR - https://www.elsevier.com/solutions/reaxys ID - ref16 ER - TY - STD TI - sciNote, 1.9.0 (2017) BioSistemika USA. https://github.com/biosistemika/scinote-web UR - https://github.com/biosistemika/scinote-web ID - ref17 ER - TY - STD TI - biova (2017) http://accelrys.com/products/unified-lab-management/biovia-electronic-lab-notebooks UR - http://accelrys.com/products/unified-lab-management/biovia-electronic-lab-notebooks ID - ref18 ER - TY - JOUR AU - Rees, I. AU - Langley, E. AU - Chiu, W. AU - Ludtke, S. PY - 2013 DA - 2013// TI - EMEN2: an object oriented database and electronic lab notebook JO - Microsc Microanal VL - 19 UR - https://doi.org/10.1017/S1431927612014043 DO - 10.1017/S1431927612014043 ID - Rees2013 ER - TY - JOUR AU - Barillari, C. AU - Ottoz, D. AU - Fuentes-Serna, J. AU - Ramakrishnan, C. AU - Rinn, B. AU - Rudolf, F. PY - 2016 DA - 2016// TI - openBIS ELN-LIMS: an open-source database for academic laboratories JO - Bioinformatics VL - 32 UR - https://doi.org/10.1093/bioinformatics/btv606 DO - 10.1093/bioinformatics/btv606 ID - Barillari2016 ER - TY - STD TI - Labfolder. https://www.labfolder.com UR - https://www.labfolder.com ID - ref21 ER - TY - JOUR AU - Rubacha, M. AU - Rattan, A. AU - Hosselet, S. PY - 2011 DA - 2011// TI - A review of electronic laboratory notebooks available in the market today JO - Jala VL - 16 ID - Rubacha2011 ER - TY - JOUR AU - Zeng, J. AU - Hillman, M. AU - Arnold, M. PY - 2011 DA - 2011// TI - Impact of the implementation of a well-designed electronic laboratory notebook on bioanalytical laboratory function JO - Bioanalysis VL - 3 UR - https://doi.org/10.4155/bio.11.116 DO - 10.4155/bio.11.116 ID - Zeng2011 ER - TY - JOUR AU - Beato, B. AU - Pisek, A. AU - White, J. AU - Grever, T. AU - Engel, B. AU - Pugh, M. AU - Schneider, M. AU - Carel, B. AU - Branstrator, L. AU - Shoup, R. PY - 2011 DA - 2011// TI - Going paperless: implementing an electronic laboratory notebook in a bioanalytical laboratory JO - Bioanalysis VL - 3 UR - https://doi.org/10.4155/bio.11.117 DO - 10.4155/bio.11.117 ID - Beato2011 ER - TY - JOUR AU - Taylor, K. T. PY - 2006 DA - 2006// TI - The status of electronic laboratory notebooks for chemistry and biology JO - Curr Opin Drug Discov Dev VL - 9 ID - Taylor2006 ER - TY - JOUR AU - Eikeren, P. PY - 2004 DA - 2004// TI - Intelligent electronic laboratory notebooks for accelerated organic process R&D JO - Org Process Res Dev VL - 8 UR - https://doi.org/10.1021/op049890j DO - 10.1021/op049890j ID - Eikeren2004 ER - TY - JOUR AU - Achour, Z. AU - Laidboeur, T. AU - Gien, O. AU - Musolino, A. AU - Bon, X. AU - Grimaud, B. PY - 2004 DA - 2004// TI - Sanofi-synthelabo chemical development and the development of an electronic laboratory notebook JO - Org Process Res Dev VL - 8 UR - https://doi.org/10.1021/op040012v DO - 10.1021/op040012v ID - Achour2004 ER - TY - JOUR AU - Walsh, E. AU - Cho, I. PY - 2013 DA - 2013// TI - Using Evernote as an electronic lab notebook in a translational science laboratory JO - J Lab Autom VL - 18 UR - https://doi.org/10.1177/2211068212471834 DO - 10.1177/2211068212471834 ID - Walsh2013 ER - TY - JOUR AU - Goddard, N. H. AU - Macneil, R. AU - Ritchie, J. PY - 2009 DA - 2009// TI - eCAT: online electronic lab notebook for scientific research JO - Autom Exp VL - 1 UR - https://doi.org/10.1186/1759-4499-1-4 DO - 10.1186/1759-4499-1-4 ID - Goddard2009 ER - TY - JOUR AU - Bird, C. AU - Willoughby, C. AU - Frey, J. PY - 2013 DA - 2013// TI - Laboratory notebooks in the digital era: the role of ELNs in record keeping for chemistry and other sciences JO - Chem Soc Rev VL - 42 UR - https://doi.org/10.1039/c3cs60122f DO - 10.1039/c3cs60122f ID - Bird2013 ER - TY - JOUR AU - Voegele, C. AU - Bouchereau, B. AU - Robinot, N. AU - McKay, J. AU - Damiecki, P. AU - Alteyrac, L. PY - 2013 DA - 2013// TI - A universal open-source electronic laboratory notebook JO - Bioinformatics VL - 29 UR - https://doi.org/10.1093/bioinformatics/btt253 DO - 10.1093/bioinformatics/btt253 ID - Voegele2013 ER - TY - JOUR AU - Coles, S. AU - Frey, J. AU - Bird, C. AU - Whitby, R. AU - Day, A. PY - 2013 DA - 2013// TI - First steps towards semantic descriptions of electronic laboratory notebook records JO - J Cheminform VL - 5 UR - https://doi.org/10.1186/1758-2946-5-52 DO - 10.1186/1758-2946-5-52 ID - Coles2013 ER - TY - STD TI - E-Notebook for chemistry. https://www.cambridgesoft.com/Ensemble_for_Chemistry/ENotebookforChemistry/ UR - https://www.cambridgesoft.com/Ensemble_for_Chemistry/ENotebookforChemistry/ ID - ref33 ER - TY - STD TI - Indigo, gga software. https://github.com/ggasoftware/indigo UR - https://github.com/ggasoftware/indigo ID - ref34 ER - TY - JOUR AU - Day, A. AU - Coles, S. AU - Bird, C. AU - Frey, J. AU - Whitby, R. AU - Tkachenko, V. AU - Williams, A. PY - 2015 DA - 2015// TI - ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources JO - J Chem Inf Model VL - 55 UR - https://doi.org/10.1021/ci5005948 DO - 10.1021/ci5005948 ID - Day2015 ER - TY - STD TI - Frey J, Coles S, Milsted A, Willoughby C, Bird C (2014) Sample management with the LabTrove ELN. From abstracts of papers, 247th ACS national meeting & exposition, Dallas, TX, United States, March 16–20, 2014, CINF-44 ID - ref36 ER - TY - JOUR AU - Willoughby, C. AU - Bird, C. AU - Coles, S. AU - Frey, J. PY - 2014 DA - 2014// TI - Creating context for the experiment record. user-defined metadata: investigations into metadata usage in the LabTrove ELN JO - J Chem Inf Model VL - 54 UR - https://doi.org/10.1021/ci500469f DO - 10.1021/ci500469f ID - Willoughby2014 ER - TY - JOUR AU - Rudolphi, F. AU - Goossen, L. PY - 2012 DA - 2012// TI - Electronic laboratory notebook: the academic point of view JO - J Chem Inf Model VL - 52 UR - https://doi.org/10.1021/ci2003895 DO - 10.1021/ci2003895 ID - Rudolphi2012 ER - TY - JOUR AU - Lütjohann, D. AU - Jung, N. AU - Bräse, S. PY - 2015 DA - 2015// TI - Open source life science automation: design of experiments and data acquisition via “dial-a-device” JO - Chemom Intell Lab Syst VL - 144 UR - https://doi.org/10.1016/j.chemolab.2015.04.002 DO - 10.1016/j.chemolab.2015.04.002 ID - Lütjohann2015 ER - TY - STD TI - Ketcher, gga software. https://github.com/ggasoftware/ketcher UR - https://github.com/ggasoftware/ketcher ID - ref40 ER - TY - JOUR AU - Banfi, D. AU - Patiny, L. PY - 2008 DA - 2008// TI - www.nmrdb.org: resurrecting and processing NMR spectra on-line JO - Chimia VL - 62 UR - https://doi.org/10.2533/chimia.2008.280 DO - 10.2533/chimia.2008.280 ID - Banfi2008 ER - TY - JOUR AU - Bajusz, D. AU - Racz, A. AU - Heberger, K. PY - 2015 DA - 2015// TI - Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? JO - J Cheminform VL - 7 UR - https://doi.org/10.1186/s13321-015-0069-3 DO - 10.1186/s13321-015-0069-3 ID - Bajusz2015 ER -