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Jean-Claude Bradley Memorial Series

The last decade has seen a dramatic shift toward openness in science that has encompassed Open Access Publishing, Open Source in software development, Open Data and Open Standards primarily as a result of people like Jean-Claude Bradley. As a result of these shifts the amount of data now available online for scientists to consume and interrogate is enormous and grows daily. Much of this data is however already “aged” having been extracted from published articles or assembled into databases from historical data that often lacks provenance. Jean-Claude Bradley’s drive was towards something more immediate with his concept of Open Notebook Science, making the entire primary record of research activities publicly available online as it is recorded (http://goo.gl/DGk7jf). To celebrate the work and vision of JC, this memorial series presented work that crosses both the domains of chemistry and cheminformatics that he operated in.

Editor: Dr Andrew Stuart Ian Donald Lang, Dr Antony Williams


  2. Blood–tissue partition coefficients indicate how a chemical will distribute throughout the body and are an important part of any pharmacokinetic study. They can be used to assess potential toxicological effect...

    Authors: Caitlin E. Derricott, Emily A. Knight, William E. Acree Jr. and Andrew SID Lang
    Citation: Chemistry Central Journal 2015 9:58
    Content type: Research article Published on:

  4. We describe three different procedures based on metadata standards for enabling automated retrieval of scientific data from digital repositories utilising the persistent identifier of the dataset with optional...

    Authors: Matthew J Harvey, Nicholas J Mason, Andrew McLean and Henry S Rzepa
    Citation: Journal of Cheminformatics 2015 7:37
    Content type: Research article Published on:

  6. There are presently hundreds of online databases hosting millions of chemical compounds and associated data. As a result of the number of cheminformatics software tools that can be used to produce the data, su...

    Authors: Karen Karapetyan, Colin Batchelor, David Sharpe, Valery Tkachenko and Antony J Williams
    Citation: Journal of Cheminformatics 2015 7:30
    Content type: Methodology Published on:

  8. The Abraham general solvation model can be used in a broad set of scenarios involving partitioning and solubility, yet is limited to a set of solvents with measured Abraham coefficients. Here we extend the ran...

    Authors: Jean-Claude Bradley, Michael H Abraham, William E Acree Jr and Andrew SID Lang
    Citation: Chemistry Central Journal 2015 9:12
    Content type: Research article Published on:

  9. Calculating Abraham descriptors from solubility values requires that the solute have the same form when dissolved in all solvents. However, carboxylic acids can form dimers when dissolved in non-polar solvents...

    Authors: Jean-Claude Bradley, Michael H Abraham, William E Acree Jr, Andrew SID Lang, Samantha N Beck, David A Bulger, Elizabeth A Clark, Lacey N Condron, Stephanie T Costa, Evan M Curtin, Sozit B Kurtu, Mark I Mangir and Matthew J McBride
    Citation: Chemistry Central Journal 2015 9:11
    Content type: Research article Published on:

  10. The current rise in the use of open lab notebook techniques means that there are an increasing number of scientists who make chemical information freely and openly available to the entire community as a series...

    Authors: Alex M Clark, Antony J Williams and Sean Ekins
    Citation: Journal of Cheminformatics 2015 7:9
    Content type: Research article Published on: