Web services for chemoinformatics

Andrew Walkingshaw's picture

Chemoinformatics algorithms are moving onto the Web, alongside the datasets they operate on.

For example, the University of Indiana provides a wide range of both data-driven and computation-driven services. Scientists don't need to download large datasets to use these, they don't need to install software, and they're easier to integrate with the rest of the Web on workflows and mashups (especially if they use the RESTful architecture style).

As the rest of the Web includes databases like the US-government-backed PubChemPubChem:

PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative.

there's quite a bit of power there, potentially; Web-accessible large databases and algorithms which work on them, all without having to install anything or even provide the computational resources, and all in public.

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