COLLABORATIVE CHEMINFORMATICS APPLICATIONS - Collaborative Computational Technologies for Biomedical Research - page 417

In addition to these systems, tools that have traditionally been focused on
software development can be usefully applied to other scenarios. A good
example is the use of a bug tracking systems to keep track of feature requests
or new ideas. These systems allow one to keep a list of these issues and pos-
sibly assign them to one or more people for followup.
It should be noted that the software systems to support the ideas described
here can be obtained in a variety of forms. Each component described here
can be obtained individually, require the collaboration to set them up whereas
more comprehensive solutions also exist that couple wikis, and feature track-
ing systems and collaborative editing systems in a single package. In addition,
one has a choice of open-source or commercial solutions from which to choose.
We have discussed a variety of technologies that facilitate collaborative
project management. But a vital component of this is the management of
people within such projects. There are many approaches to this, ranging from
committees to dictatorships (benevolent or otherwise). In this chapter we do
not discuss the merits or demerits of any given approach, save to say that
effi cient personnel management is vital to the successful completion of a col-
laborative project.

24.6 CONCLUSION

In this chapter we have discussed the various aspects of collaborative chemin-
formatics. We have outlined tools available for software development, building
knowledge bases, and tools for collaborative computing. We have also outlined
the roles that open source, open data, and open standards have in building
successful collaborations, including the roles of licensing as a social contract
between collaborators and communication channels to discuss ideas. Similarly,
we have shown how open standards make it easier to build collaborative
knowledge bases as they provide a unifi ed and clear-to-all interface to the data.
We have further described how collaborative computing, both locally and
remotely, can be established and how scientists can share high-level workfl ow
specifi cations.
As technologies continue to improve over the next few years, these kind of
collaborative cheminformatics uses will become easier and easier. The chemin-
formatics applications outlined here merely present a view on what will be
possible.

REFERENCES

1. Krause S , Willighagen E , Steinbeck C . JChemPaint — Using the collaborative forces
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2. CVS — Concurrent Versions System . Available: http://www.nongnu.org/cvs/ .
3. Apache Subversion . Available: http://subversion.apache.org/ .