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The Blue Obelisk-interoperability in chemical informatics
Rajarshi Guha1, Michael T Howard, Geoffrey R Hutchison
1Pennsylvania State University, University Park, Pennsylvania 16804-3000, Jmol Project, USA.
Journal of Chemical Information and Modeling
|May 23, 2006
Summary
The Blue Obelisk Movement fosters open-source chemoinformatics through shared data, algorithms, and web services. This collaboration promotes reusable chemistry and advances scientific discovery.
Area of Science:
- Chemoinformatics
- Computational Chemistry
- Open Science
Background:
- The Blue Obelisk Movement is an internet-based collective focused on advancing chemoinformatics.
- The group emphasizes open-source software development, consistent research, open data, and open standards.
- Their work aims to promote the concept of reusable chemistry.
Purpose of the Study:
- To highlight recent cooperative efforts within the Blue Obelisk Movement.
- To showcase the practical outcomes of their collaborative approach.
- To demonstrate the benefits of open initiatives in chemoinformatics.
Main Methods:
- Development of a shared dictionary for chemoinformatics algorithms and their implementations.
- Creation of a centralized repository for diverse chemoinformatics data.
- Implementation of web services for accessible chemoinformatics program utilization.
Main Results:
- A unified resource of algorithms and implementations is now available.
- A comprehensive dataset including elemental properties, atomic radii, and isotopes has been established.
- Platform-independent web services enable broader access to chemoinformatics tools.
Conclusions:
- The Blue Obelisk Movement successfully fosters collaboration in chemoinformatics.
- Shared resources and open standards accelerate scientific progress.
- Open initiatives are crucial for the advancement of reusable chemistry and data accessibility.