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The HCLS Community Profile:
Describing Datasets, Versions, and
Distributions
Alasdair J G Gray
Heriot-Watt University
www.macs.hw.ac.uk/~ajg33
A.J.G.Gray@hw.ac.uk
@gray_alasdair
Michel Dumontier
Stanford University
M. Scott Marshall
MAASTRO Clinic
30/11/2016
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
1
Open PHACTS Example
Data Cache
(Triple Store)
Semantic Workflow Engine
Linked Data API (RDF/XML, TTL, JSON) Domain
Specific
Services
Identity
Resolution
Service
Identifier
Management
Service
“Adenosine
receptor 2a”
EC2.43.4
CS4532
P12374
CorePlatform
ChEMBL-
RDF
ChEMBL
v13
Chem2
Bio2RDF
SD
v13
v12
v2 or v8
Which ChEMBL version?
@gray_alasdair
www.macs.hw.ac.uk/~ajg33 3
Open PHACTS Example
OPS Example
Data Cache
(Triple Store)
Semantic Workflow Engine
Linked Data API (RDF/XML, TTL, JSON) Domain
Specific
Services
Identity
Resolution
Service
Identifier
Management
Service
“Adenosine
receptor 2a”
EC2.43.4
CS4532
P12374
CorePlatform
ChEMBL-
RDF
ChEMBL
v13
Chem2
Bio2RDF
SD
v13
v12
v2 or v8
Open PHACTS
Discovery PlatformHistoric Use Case
~January 2012
Open PHACTS v2.1
ChEMBL 20
http://tiny.cc/ops-datasets
Which ChEMBL version?
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
6
Challenges
• Datasets available
– In many versions over time
– In different formats
– From many mirrors/registries
• Datasets build on each other
• Files do not carry metadata
• Registries
– Can be out-of-date
– Can contain conflicting information
30/11/2016
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
7
Scientists
require data
provenance!
Dublin Core Metadata Initiative
 Widely used
 Broadly applicable
– Documents
– Datasets
✗Generic terms
✗Not comprehensive
✗No required properties
30/11/2016
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
8
“Date: A point or period of time
associated with an event in the
lifecycle of the resource.”
9
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
 Metadata carried with data
– Directly embedded: void:inDataset
✗No versioning
✗No checklist of requisite fields
✗Only for RDF data
VoID: Vocabulary of
Interlinked Datasets
30/11/2016
DCAT: Data Catalog
 Separates Dataset and Distribution
✗No versioning
✗No prescribed properties
30/11/2016
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
10
W3C HCLS Group
HCLS Dataset Descriptions
61 Metadata properties from 18 vocabularies
5 Modules: Core, Identifiers, Provenance, Distributions, Stats
Prescribed Usage
Element Property Value
Summary
Level
Version
Level
Distribution
Level
Core
Metadata
Type
declaration
rdf:type dctypes:Dataset MUST MUST SHOULD
Type
declaration
rdf:type
void:Dataset or
dcat:Distribution
MUST
NOT
MUST
NOT
MUST
Title dct:title rdf:langString MUST MUST MUST
Alternative
titles
dct:alternative rdf:langString MAY MAY MAY
Description dct:description rdf:langString MUST MUST MUST
… … … … … …
30/11/2016
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
15
ChEMBL: Summary Level
Requires Tooling
Creation Validation
30/11/2016
@gray_alasdair
www.macs.hw.ac.uk/~ajg33
17
Implementations
RDF Platform
More coming…
HCLS Dataset Descriptions
https://www.w3.org/TR/hcls-dataset/
Dumontier M, Gray AJG, Marshall MS, et al. (2016) The health care
and life sciences community profile for dataset descriptions.
PeerJ 4:e2331 https://doi.org/10.7717/peerj.2331
A.J.G.Gray@hw.ac.uk @gray_alasdair

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The HCLS Community Profile: Describing Datasets, Versions, and Distributions

  • 1. The HCLS Community Profile: Describing Datasets, Versions, and Distributions Alasdair J G Gray Heriot-Watt University www.macs.hw.ac.uk/~ajg33 A.J.G.Gray@hw.ac.uk @gray_alasdair Michel Dumontier Stanford University M. Scott Marshall MAASTRO Clinic 30/11/2016 @gray_alasdair www.macs.hw.ac.uk/~ajg33 1
  • 3. Data Cache (Triple Store) Semantic Workflow Engine Linked Data API (RDF/XML, TTL, JSON) Domain Specific Services Identity Resolution Service Identifier Management Service “Adenosine receptor 2a” EC2.43.4 CS4532 P12374 CorePlatform ChEMBL- RDF ChEMBL v13 Chem2 Bio2RDF SD v13 v12 v2 or v8 Which ChEMBL version? @gray_alasdair www.macs.hw.ac.uk/~ajg33 3
  • 6. Data Cache (Triple Store) Semantic Workflow Engine Linked Data API (RDF/XML, TTL, JSON) Domain Specific Services Identity Resolution Service Identifier Management Service “Adenosine receptor 2a” EC2.43.4 CS4532 P12374 CorePlatform ChEMBL- RDF ChEMBL v13 Chem2 Bio2RDF SD v13 v12 v2 or v8 Open PHACTS Discovery PlatformHistoric Use Case ~January 2012 Open PHACTS v2.1 ChEMBL 20 http://tiny.cc/ops-datasets Which ChEMBL version? @gray_alasdair www.macs.hw.ac.uk/~ajg33 6
  • 7. Challenges • Datasets available – In many versions over time – In different formats – From many mirrors/registries • Datasets build on each other • Files do not carry metadata • Registries – Can be out-of-date – Can contain conflicting information 30/11/2016 @gray_alasdair www.macs.hw.ac.uk/~ajg33 7 Scientists require data provenance!
  • 8. Dublin Core Metadata Initiative  Widely used  Broadly applicable – Documents – Datasets ✗Generic terms ✗Not comprehensive ✗No required properties 30/11/2016 @gray_alasdair www.macs.hw.ac.uk/~ajg33 8 “Date: A point or period of time associated with an event in the lifecycle of the resource.”
  • 9. 9 @gray_alasdair www.macs.hw.ac.uk/~ajg33  Metadata carried with data – Directly embedded: void:inDataset ✗No versioning ✗No checklist of requisite fields ✗Only for RDF data VoID: Vocabulary of Interlinked Datasets 30/11/2016
  • 10. DCAT: Data Catalog  Separates Dataset and Distribution ✗No versioning ✗No prescribed properties 30/11/2016 @gray_alasdair www.macs.hw.ac.uk/~ajg33 10
  • 12. HCLS Dataset Descriptions 61 Metadata properties from 18 vocabularies 5 Modules: Core, Identifiers, Provenance, Distributions, Stats
  • 13. Prescribed Usage Element Property Value Summary Level Version Level Distribution Level Core Metadata Type declaration rdf:type dctypes:Dataset MUST MUST SHOULD Type declaration rdf:type void:Dataset or dcat:Distribution MUST NOT MUST NOT MUST Title dct:title rdf:langString MUST MUST MUST Alternative titles dct:alternative rdf:langString MAY MAY MAY Description dct:description rdf:langString MUST MUST MUST … … … … … …
  • 17. HCLS Dataset Descriptions https://www.w3.org/TR/hcls-dataset/ Dumontier M, Gray AJG, Marshall MS, et al. (2016) The health care and life sciences community profile for dataset descriptions. PeerJ 4:e2331 https://doi.org/10.7717/peerj.2331 A.J.G.Gray@hw.ac.uk @gray_alasdair

Hinweis der Redaktion

  1. OPS Explorer screenshot returning compound information Open PHACTS as a use case; data integration platform One of many use cases gathered in HCLSIG
  2. Behind the scenes! ChemSpider: EBI SDF file ChEMBL 13 Data Cache: Chem2Bio2RDF ChEMBL RDF File downloaded May 2011 Chem2Bio2RDF metadata webpages: ChEMBL 8 File contents: ChEMBL 2 Mapping Server: Kasabi ChEMBL RDF file ChEMBL 12
  3. OPS Explorer screenshot returning compound information Open PHACTS as a use case; data integration platform One of many use cases gathered in HCLSIG
  4. Key element is provenance of where the data has come from Enabled by having detailed descriptions of the sources
  5. Behind the scenes! ChemSpider: EBI SDF file ChEMBL 13 Data Cache: Chem2Bio2RDF ChEMBL RDF File downloaded May 2011 Chem2Bio2RDF metadata webpages: ChEMBL 8 File contents: ChEMBL 2 Mapping Server: Kasabi ChEMBL RDF file ChEMBL 12
  6. We reuse several properties
  7. Large community buy in - 27 authors – Major data providers EBI, RIKEN, SIB Weekly telcons, collaborative editing 2-3 year process Wide range of use cases
  8. Summary level: time unchanging information, e.g. name, description, publisher Version level: version specific information, e.g. version number, creator, etc Distribution level: file specific information, e.g. file location and format, number of triples Reuse vocabularies: DCTerms, DCAT, VoID, FOAF, … Prescribed properties: MUST, SHOULD, MAY, MUST NOT for each level
  9. 61 properties from 18 vocabularies Minimised number of MUST/SHOULD to those for interoperability MAYs are recommended terms
  10. 21 Properties 4 MUST 4 SHOULD 13 May
  11. Summary level: time unchanging information, e.g. name, description, publisher Version level: version specific information, e.g. version number, creator, etc Distribution level: file specific information, e.g. file location and format, number of triples Acknowledge W3C HCLS IG