Online Chemistry Nexus Proposal/Activity and effect

Proposed activity and effect on infrastructure

The proposed activity has been divided into three sections:

• technical activity, which requires a high-degree of programming skill and familiarity with the various software environments;
• technical-content activity, which requires a low-to-moderate degree of programming skill (or at least a collaboration with someone with some programming skills) or which requires specific expertise in the functioning of wikis;
• content activity, which requires a good general knowledge of chemistry and wiki markup, but little or no programming or other technical expertise.

As with any novel project, it is impossible to give an exact description of the activity that will be necessary or desirable. While the activity in an experimental project depends intimately on the experimental results obtained, the activity in developing the proposed site will necessarily depend on feedback from its users. The activity described here is intended to acheive the objectives described above.

Technical activity

Set up site, including choice and installation of appropriate pre-existing MediaWiki extensions

Incorporation of an extension to allow display of .mol files

Incorporation of an extension to allow searching by structure

(at first, this would be a simple search on exact structure matches: greater functionality would then be developed)

Development of an extension to support (and, if possible include semi-automatically) CML markup

Development of extensions to support and facilitate Open Laboratory Notebooks

Preparation of usage statistics

Technical-content activity

Choice of supported filetypes and MediaWiki "namespaces"

Ensuring correct procedures for the labelling of contributed content with its correct copyright license

Development of automated and semi-automated methods for the validation and correction of certain content

Development of methods to ensure the machine-readability of content at the minimum effort for the contributor

Content activity

Development of a robust categorization system

Creation of portals to enable access to initial material

Selection of initial material, including creation of material where necessary

Development of a robust set of policies and guidelines

Identification of online chemistry resources