Literature DB >> 25679543

ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources.

Aileen E Day1, Simon J Coles2, Colin L Bird2, Jeremy G Frey2, Richard J Whitby2, Valery E Tkachenko3, Antony J Williams3.   

Abstract

In designing an Electronic Lab Notebook (ELN), there is a balance to be struck between keeping it as general and multidisciplinary as possible for simplicity of use and maintenance and introducing more domain-specific functionality to increase its appeal to target research areas. Here, we describe the results of a collaboration between the Royal Society of Chemistry (RSC) and the University of Southampton, guided by the aims of the Dial-a-Molecule Grand Challenge, intended to achieve the best of both worlds and augment a discipline-agnostic ELN, LabTrove, with chemistry-specific functionality and using data provided by the ChemSpider platform. This has been done using plug-in technology to ensure maximum transferability with minimal effort of the chemistry functionality to other ELNs and equally other subject-specific functionality to LabTrove. The resulting product, ChemTrove, has undergone a usability trial by selected academics, and the resulting feedback will guide the future development of the underlying ELN technology.

Mesh:

Year:  2015        PMID: 25679543     DOI: 10.1021/ci5005948

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  5 in total

1.  Many InChIs and quite some feat.

Authors:  Wendy A Warr
Journal:  J Comput Aided Mol Des       Date:  2015-06-17       Impact factor: 3.686

2.  Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data.

Authors:  Alex M Clark; Antony J Williams; Sean Ekins
Journal:  J Cheminform       Date:  2015-03-22       Impact factor: 5.514

3.  Analysis and Implementation of an Electronic Laboratory Notebook in a Biomedical Research Institute.

Authors:  Santiago Guerrero; Gwendal Dujardin; Alejandro Cabrera-Andrade; César Paz-Y-Miño; Alberto Indacochea; Marta Inglés-Ferrándiz; Hima Priyanka Nadimpalli; Nicola Collu; Yann Dublanche; Ismael De Mingo; David Camargo
Journal:  PLoS One       Date:  2016-08-01       Impact factor: 3.240

4.  Chemotion ELN: an Open Source electronic lab notebook for chemists in academia.

Authors:  Pierre Tremouilhac; An Nguyen; Yu-Chieh Huang; Serhii Kotov; Dominic Sebastian Lütjohann; Florian Hübsch; Nicole Jung; Stefan Bräse
Journal:  J Cheminform       Date:  2017-09-25       Impact factor: 5.514

5.  Chemotion-ELN part 2: adaption of an embedded Ketcher editor to advanced research applications.

Authors:  Serhii Kotov; Pierre Tremouilhac; Nicole Jung; Stefan Bräse
Journal:  J Cheminform       Date:  2018-08-13       Impact factor: 5.514

  5 in total

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