Chemical Informatics

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS

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GLOBAL ISSUES
PUBLIC SERVICE
OUTREACH AND COLLABORATION
INFORMATICS
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locate the hidden, untapped potential
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Chemical Global health Duke University
informatics Public policy Libraries
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Sensemaking
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chemical informatics

information science and technology
chemistry
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Proteins have shapes
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Small molecules
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Structure activity research Property activity
research
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What does chemical inforamtics doe
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http//www.ncbi.nlm.nih.gov/Database/datamodel/ind
ex.html Show link and click on it
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interdisciplinary medical sciences
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complex nature of diseases
Genes, Behavior, Diet/Nutrition, Infectious
agents, Ecology, Society, ???
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High throughput screening

• http//www.genome.gov/26524878
• Slide 15
• Slide 13

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MLSCN

• The MLSCN is a nationwide consortium of
  facilities that provides high-throughput small
  molecule screening, instrumentation, and
  expertise to the public research community. The
  MLSCN also maintains a central repository of more
  than 100,000 diverse chemical compounds from
  which chemical libraries are generated.  
• Through this unique mechanism, researchers can
  identify small molecule compounds to be used as
  tools for exploring the functions of genes and
  pathways in health and disease at the molecular,
  cellular and in vivo levels. Screening data
  generated by the MLSCN is deposited in a public
  database called PubChem which also provides
  cheminformatics data mining tools.

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• This is a nationwide consortium of small molecule
  screening centers that has been recently funded
  to produce innovative chemical tools for use in
  biological research. The MLSCN performs HTS on
  assays provided by the research community,
  against a large library of small molecules
  maintained in a central molecule repository. The
  network also performs optimization chemistry
  required to produce useful in vitro chemical
  probes (research tools for the targets or
  phenotypes studied in the assays) from the hits
  identified in the initial screening. The MLSCN
  has established a collection of 100,000
  chemically diverse small molecules some of which
  have known biological activities and others of
  which have the potential to modulate novel
  biological functions. Over time, this collection
  will be expanded and modified to provide a
  working set of molecules that will target larger
  domains of "biological space," which represents
  all of the biomolecular surface domains that can
  potentially interact with a small molecule. All
  of the results from the MLSCNs activities will
  be placed into a public database called PubChem,
  and information about probe compounds will be
  made available to all researchers, in both public
  and private sectors, for their use in studying
  biology and disease.

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Free screening

• http//mli.nih.gov/mli/mlscn/access-to-mlscn-scree
  ning/

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Mlscn centers

• NIH Chemical Genomics Center (MD)
• Penn (PA)
• Emory University (GA)
• University of Pittsburgh (PA)
• Southern Research Institute (SE USA)
• Burnham Institute for Medical Research (CA)
• Scripps Research Institute (CA)
• Columbia University Medical Center (NY)
• University of New Mexico (NM)
• Vanderbilt University (TN)

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All this data is loaded to PubChem
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moby dick - what is story
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student view of Pubchem
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What does Duke mean? richard broadhead - duke
engage - get link architecture - it is the art
that engages and emerges you, and for a
profession that has long been defined a
building duke libraries plan
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GLOBAL ISSUES
PUBLIC SERVICE
OUTREACH AND COLLABORATION
INFORMATICS
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ChemicalInformatics
DukeLibraries
and
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CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS
CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS DUKE LIBRARIES
CHEMICAL INFORMATICS DUKE LIBRARIES
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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS
• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS
• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

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• DUKE LIBRARIES

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• CHEMICAL INFORMATICS
• DUKE LIBRARIES

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS
• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

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• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

• DUKE LIBRARIES

• CHEMICAL INFORMATICS

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Why important to explore this field?

• (Booth and Brice, 2004) Chapter 2, 9 and 10
• These three articles explore evidence based
  practice starting with a brief history (chapter
  2), the methodology for appraising the evidence
  (chapter 9) and a section looking at applying
  evidence to everyday practice.
• Variables that affect the applicability of
  evidence/results for librarianship include user
  group, timeliness, cost, politics, severity (i.e.
  the criticalness of the intervention).
• EBM encourages locally validation of existing
  data in order to build the evidence base. For
  example, LibQUAL survey, whereby individual
  libraries measure user perceptions of library
  service quality. This data is then aggregated
  for comparison and benchmarking. It is important
  to experiment different methodologies to locally
  validate and examine how different methods will
  work in local institutions to understand
  yourself better by looking externally and
  benchmarking.
• A common way to apply evidence is through
  improved understanding of the issues. Keeping up
  with the research literature allows you to see
  the bigger picture. Research also helps you
  enhance your understanding of possible ways to do
  things as well as suggesting why you might choose
  to implement change. If a question arise, using
  research improves your understanding of concerns
  surrounding those questions.
• Response Evidence based practice goes beyond
  quality service and sound decision-making. It is
  a springboard for sharing ideas, to encourage
  exploration, and for self-directed learning.

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