Improving The Effectiveness Of Our R&D

Organizations Through Incrementally-

Enhanced InformaticsJohn B. KinneyDuPont Crop Protection

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Informatics at DuPont Crop Protection

• We will never be in a single-solution environment!

• Continual effort to separate our data from our applications

• Application migrations by choice and fiat– WLN MACCS ISIS ChemCart/Direct

– Lotus Notes SharePoint

• These changes are all major efforts, but the needs of the organization change constantly

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Search/Browse Environment

Sample Management

Test Management

Chemical Registration

Communication & Collaboration

Accelrys Enterprise Server Computational Tools

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Lots of white-space at the edges

• Opportunities for small efforts to have large impact– Custom reports that bridge between apps

– Automate manual steps• Most often between apps!

– Correct interface deficiencies

– Addins to extend functionality• Sometimes requiring their own app

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Case 1 – Why is it so hard to find Projects?

• There are lots of nice collaboration tools, but none enabled for chemistry

• DuPont standardized on Lotus Notes in the late 90’s

– Used to record/share lead discovery project ideas

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Default Project View

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Gaining value by improving access

• Search by structure is essential

– Requires embedded chemical objects, not just pictures

Notes Team Room Structure Database

Crawl, extract, & standardize

Search/BrowseGo to Document

VB App & AES Protocol

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Migration to SharePoint

• Opportunity to build on learnings of previous decade

• Still requires chemistry awareness

– Selected JChem for SharePoint to add chemistry capabilities and searching

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New Project View

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Structure Search

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Case 2 – Improving use of structures in SharePoint

• SharePoint is our new collaboration environment– JChem for SharePoint

• Includes structure search index

– AES SharePoint Bridge • AES can read SP Lists• SP can access AES protocols/reports

• Default use of screen space with structures is inefficient

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Default view of chemistry discussion

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View using AES Report

SP Interface Tweak using jQuery

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Case 3 – Predicting follow-up queries

If we already know what the next question is, shouldn’t we prepare the search query/result in advance?

• Simple extensions in reports can provide custom drill-down access

• New APIs extend this capability to literature sources

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Slow to GenerateCreated in advance

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Fast to Generate“On Demand”

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Case 4 – Interactive Reporting

• Allow for faster browsing of reports

• Can include dynamic sorting & collection of user input

• Customization in the browser

• May come at the cost of good printing!

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Extending the Standard Report

Collect user input

Live pop-up molecules

Tooltips for replicate details

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Click to show just the best

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Headers locked to top of page

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Case 5 – Where’s my compound in the testing queue?

• Not all systems play well in a multi-vendor environment

• Our biology testing app has a complex data scheme

• Must push the data out…No viable external query available

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Acknowlegements

Internal Partners

• Bill Tillotson

• Laurie Christianson

• Paul Kerr

• Ray Voegeli

External Partners

• BioVia

• DeltaSoft

• ChemAxon

• CAS