Novatia : Web Services as Tools for High Throughput Pharmaceutical Analysis

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Web Services as Tools for High Throughput Pharmaceutical Analysis

Author: David Detlefsen

Posted: 9/30/02; 9:51:29 AM

Topic: Web Services as Tools for High Throughput Pharmaceutical Analysis

Msg #: 271 (top msg in thread)

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As pharmaceutical analytical requirements expand and accelerate, the need for development and integration of high throughput methods grows. Web services are one way to tame R&D?s increasing appetite for analytical information whereby the product (the experimental data and instrumental capabilities) can be made available via an application programming interface (API) such as XML-RPC. Casting analytical instrumentation as a web service and focusing development on methods suitable for web service delivery creates opportuniy for increased participation in high throughput pharmaceutical research today and provides a route for better integration of analytical systems into larger multi-instrument solutions that are being considered for tomorrow. In addition, since much of the data management and integration requirements are off-loaded to external business logic containing procedures, the information management requirements at the instrument are minimized as a result of the transactional nature of web services. Here we will present some of the technology and concepts involved and our efforts to develop a prototype Nuclear Magnetic Web Services web services to support automated structure confirmation.

What the heck is a web service and how can I create and use them to increase my productivity? Want to find out more about Web Services and how they can be used in pharmaceutical R&D? Check out the references below.

References:

Download NMR Web Services, a pdf version a presentation given at SMASH 2002 September 15-18 2002: Breckenridge, CO.
Keeping Web services real...there's a key quote in here that says web services can enable an "assembly line for business processes."
What are Web services anyway?...is a more technical description of what web services are and how they work.
Check out the information available at xmlrpc.com...arguably the place where the underlying protocol for web services (xml-rpc and soap) got started.
Check out Novatia's NMR Web Service Software for the prediction of NMR spin systems and chemical shift estimation from SMILES strings. This is a first of it's kind application that can be accessed interactively via the web or algorithimically over the internet via XML-RPC. This represents a new class of NMR software that easily allows for predictive information to be available at the instrument while a sample is being analyzed allowing for experimental decisions to be made at the time of acquistion.