eBank CombeDay - PowerPoint PPT Presentation

1 / 20
About This Presentation
Title:

eBank CombeDay

Description:

DOI http://dx.doi.org/10.1594/ecrystals.chem.soton.ac.uk/145 ... Full embedding in daily laboratory practice. Roll out to other institutions ... – PowerPoint PPT presentation

Number of Views:39
Avg rating:3.0/5.0
Slides: 21
Provided by: simon175
Category:
Tags: combeday | daily | ebank | the

less

Transcript and Presenter's Notes

Title: eBank CombeDay


1
eCrystals A Route for Open Access to Small
Molecule Crystal Structure Data Simon
Coles School of Chemistry, University of
Southampton, U.K. s.j.coles_at_soton.ac.uk
2
The Data Overload Problem
1.5,000,000
30,000,000
450,000
3
Funding Body Viewpoint
4
Open Access as the Answer?
  • Author Self-Archiving
  • Open Access Journals

5
Separating Data from Interpretations
Underlying data
Intellect Interpretation
6
Workflow Capture and Analysis
7
The eCrystals Data Archive
http//ecrystals.chem.soton.ac.uk
8
Access to the underlying data
9
Metadata Publication
  • Using simple Dublin Core
  • Crystal structure
  • Title (Systematic IUPAC Name)
  • Authors
  • Affiliation
  • Creation Date
  • Additional chemical information through
    Qualified Dublin Core
  • Empirical formula
  • International Chemical Identifier (InChI)
  • Compound Class Keywords
  • Specifies which datasets are present in an
    entry
  • DOI http//dx.doi.org/10.1594/ecrystals.chem.soto
    n.ac.uk/145
  • Rights Citation http//ecrystals.chem.soton.ac.
    uk/rights.html
  • Application Profile http//www.ukoln.ac.uk/projec
    ts/ebank-uk/schemas/

10
Metadata and Data Quality Control
Data manipulation toolbox
Associated Metadata
Value added
Format conversion
11
Harvesting Aggregating Google
Coles, S.J., Day, N.E., Murray-Rust, P., Rzepa,
H.S., Zhang, Y., Org. Biomol. Chem., 2005, (10),1
832-1834. DOI 10.1039/b502828k
12
Harvesting OAIster
13
Linking and aggregating
14
Embedded in a science portal
15
eBank/eCrystals Future
  • Full embedding in daily laboratory practice
  • Roll out to other institutions
  • Full support from host institution
  • Community acceptance
  • Federation of repositories
  • Specialised aggregator services (Crystallography)
  • Generic aggregator services (Chemistry / Science)

16
The eCrystals Global Model
Data analysis, transformation, mining, modelling
Presentation services / portals
Data discovery, linking, citation
Publishers peer-review journals, conference
proceedings, etc
Aggregator services
Publication
Laboratory repository
Deposit
Validation
Institutional data repositories
Search, harvest
Validation
Deposit
17
eCrystals in Education
  • Component of MChem course

Search
Devise
Discover
Manipulate
Analyse
Compare
18
eCrystals in Education
  • Popular compounds site

19
eCrystals in Education
  • eMalaria Schools Project

20
eCrystals in Education
  • eMalaria Schools Project
Write a Comment
User Comments (0)
About PowerShow.com