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Implementing the FAIR Principles
in the Library of Integrated Network-based
Cellular Signatures (LINCS) Resources
Kathleen Jagodnik, Ph.D.
Ma’ayan Laboratory
Department of Pharmacological Sciences
Icahn School of Medicine at Mount Sinai
New York, New York
BD2K FAIRness Metrics Working Group
June 13, 2017
Overview of the LINCS Project
Overview of the LINCS Project
Source: Avi Ma’ayan, PhD
Overview of the LINCS Project
Source: Avi Ma’ayan, PhD
Overview of the LINCS Project
Source: Vasileios Stathias
KINOMEscan
P100 Assay
MEMA
Integration
of Data
Biochemical
KiNativ
Proteomic
SWATH-MS
Transcriptomic
RNA-seq
L1000
Imaging
Fluorescence
Microscopy
Epigenomic
ATAC-seq
Global
Chromatin
Profiling
Overview of the LINCS Project
Overview of the LINCS Project
FAIRness Principles
Wilkinson MD et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship.
Scientific Data, 3: 160018.
Starr, J., Castro, E., Crosas, M., Dumontier, M., Downs, R. R., Duerr, R., ... &
Clark, T. (2015). Achieving human and machine accessibility of cited data in
scholarly publications. PeerJ Computer Science, 1, e1.
Composite Findability Criteria for LINCS
Composite Accessibility Criteria for LINCS
Composite Interoperability Criteria for LINCS
Composite Reusability Criteria for LINCS
FAIRness Guidelines
Wilkinson MD et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship.
Scientific Data, 3: 160018.
Assessing FAIRness of LINCS Resources
Wilkinson MD et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship.
Scientific Data, 3: 160018.
LINCS Resources
Workflows for Assessing LINCS FAIRness
Reusability Metric R1: meta(data) are richly described with a plurality of accurate and relevant attributes
Sub-Metric R1.1: (meta)data are released with a clear and accessible data usage license
Findability of LINCS Resources
LINCS Metadata Completeness
 6 participants
 3 hours
 Discussed a range of open questions related to LINCS FAIRness
 Produced a Jupyter Notebook that reports statistics for domains
associated with first-page Google search results for specified queries
DCIC Data Science Symposium Hackathon
Jupyter Notebook for Assessing Google Search Results
Query Phrases:
LDP
NPC methotrexate dataset
Valproic Acid dataset MCF7 cells
Cancer cell line chemical perturbation dataset
Imatinib perturbation dataset
Radicolol cell perturbation signature
NPC perturbation
Methotrexate genes MCF7
MCF7 RNAseq
MCF7 L1000
Assessment of Google Search Results
Assessment of Google Search Results
Assessment of Google Search Results
Assessment of Google Search Results
Assessment of Google Search Results
The Problem of Disambiguation
LINCS LDS-1299
https://www.lds.org/
http://lincsportal.ccs.miami.edu/
datasets/#/view/LDS-1299
Accessibility of LINCS Resources
The LINCS Data Portal
The LINCS Data Portal
Recommended Content for Landing Pages
Starr, J., Castro, E., Crosas, M., Dumontier, M., Downs, R. R., Duerr, R., ... &
Clark, T. (2015). Achieving human and machine accessibility of cited data in
scholarly publications. PeerJ Computer Science, 1, e1.
Interoperability of LINCS Resources
LINCS Metadata Standards
http://www.lincsproject.org/LINCS/data/standards
LINCS Metadata Standards
http://www.lincsproject.org/LINCS/data/standards
LINCS Metadata Standards
http://www.lincsproject.org/LINCS/data/standards
LINCS Metadata Standards on BioSharing.org
Manual Curation
of Metadata
The smartAPI Project
smartAPI Specification
https://websmartapi.github.io/smartapi_specification/
The smartAPI Project
smartAPI Specification
https://websmartapi.github.io/smartapi_specification/
54 API metadata elements, 21 unique to smartAPI
The smartAPI Project
smartAPI Editor
http://smart-api.info/editor/#/
The smartAPI Project
smartAPI Registry
http://smart-api.info/registry/
BD2K API Interoperability
Working Group
Co-chairs:
Chunlei Wu Michel Dumontier
cwu@scripps.edu michel.dumontier@maastrictuniversity.nl
Administrators:
Sam Moore Denise Luna
samuel.moore@nih.gov deniseluna@bd2kccc.org
Reusability of LINCS Resources
LINCS Data Release Policy
http://www.lincsproject.org/LINCS/data/release-policy
LINCS Data Release Policy
http://www.lincsproject.org/LINCS/data/release-policy
LINCS Data Release Policy
http://www.lincsproject.org/LINCS/data/release-policy
LINCS Versioning Specifications
Mechanism for User Feedback
Mechanism for User Feedback
 Assessed 10 biomedical projects’ licensing info
 Sites do not tend to differentiate between data and software
 Policies differ widely by resource
 Some resources have copyrights, and others don't
~ Some, such as FlyBase, have different copyrights that apply to subsets of resources
 Some allow unrestricted use for non-commercial purposes, and require a license for commercial use.
 “As-is” disclaimers on some sites
 Privacy policies sometimes available; option to opt out
 Login typically not required; use of cookies
Licensing Survey
1. The repository has an explicit mission to provide access to and preserve data in its domain.
2. The repository maintains all applicable licenses covering data access and use and monitors compliance.
3. The repository has a continuity plan to ensure ongoing access to and preservation of its holdings.
4. The repository ensures, to the extent possible, that data are created, curated, accessed, and used in compliance with
disciplinary and ethical norms.
5. The repository has adequate funding and sufficient numbers of qualified staff managed through a clear system of
governance to effectively carry out the mission.
6. The repository adopts mechanism(s) to secure ongoing expert guidance and feedback (either in-house, or external,
including scientific guidance, if relevant).
7. The repository guarantees the integrity and authenticity of the data.
8. The repository accepts data and metadata based on defined criteria to ensure relevance and understandability for
data users.
The Core Trustworthy Data Repository Requirements
https://www.datasealofapproval.org/en/information/requirements/
9. The repository applies documented processes and procedures in managing archival storage of the data.
10. The repository assumes responsibility for long-term preservation and manages this function in a planned and
documented way.
11. The repository has appropriate expertise to address technical data and metadata quality and ensures that sufficient
information is available for end users to make quality-related evaluations.
12. Archiving takes place according to defined workflows from ingest to dissemination.
13. The repository enables users to discover the data and refer to them in a persistent way through proper citation.
14. The repository enables reuse of the data over time, ensuring that appropriate metadata are available to support the
understanding and use of the data.
15. The repository functions on well-supported operating systems and other core infrastructural software and is using
hardware and software technologies appropriate to the services it provides to its Designated Community.
16. The technical infrastructure of the repository provides for protection of the facility and its data, products, services,
and users.
The Core Trustworthy Data Repository Requirements
https://www.datasealofapproval.org/en/information/requirements/
 Beyond addressing repositories, develop standards for datasets & tools
 Lists of 25 binary criteria for separately evaluating LINCS datasets & tools
 Criteria will be updated annually
 Open-source Web-based system
 Self-evaluation or independent third-party assessment are possibilities
Developing New Standards for Datasets & Tools
Proposed Criteria
for Dataset Assessment
Proposed Criteria
for Tool Assessment
Distribution of FAIR Principles across Criteria
FAIRness Assessment
for Example LINCS
Dataset
Key:
Blue: Criterion is satisfied
Red: Criterion is not satisfied
Black: More info is required
to reach a conclusion
FAIRness Assessment for Example LINCS Dataset
The dataset is available
in a human-readable format
FAIRness Assessment for Example LINCS Dataset
FAIRness Assessment
for Example LINCS
Tool
Key:
Blue: Criterion is satisfied
Red: Criterion is not satisfied
Black: More info is required
to reach a conclusion
FAIRness Assessment for Example LINCS Tool
All previous versions of the tool
are made available
FAIRness Assessment for Example LINCS Tool
Challenges in Assessing LINCS FAIRness
?
LINCS FAIRness Assessment
Summary of Interim Results
 How to assess the quality of information in an automated manner?
 How to clearly differentiate among FAIRness criteria and sub-criteria
~ Will this differ by project?
 Do certain criteria precede others?
Open Questions
Open Questions
Future Work
Acknowledgments
 Stephan Schurer, Ph.D.
 Dusica Vidovic, Ph.D.
 Daniel Cooper, Ph.D.
 Raymond Terryn, Ph.D.
 Caty Chung, M.S.
 Vasileios Stathias, B.S.
 Ajay Pillai, Ph.D.  Avi Ma’ayan, Ph.D.
NIH T32 Training Grant
#4T32HL007824-19
 Denis Torre, B.S.
 Alexandra Keenan, M.S.
 Wen Niu, M.S.
References
 Dunning A., de Smaele M., Bohmer J. (2017) Are the FAIR Data Principles fair? IDCC17 Practice
Paper. The 12th International Digital Curation Conference, February 20-23, 2017, Edinburgh,
Scotland.
 FORCE 11 (2014a). The FAIR Data Principles. FORCE11. Retrieved 18 January 2017, from
https://www.force11.org/group/fairgroup/fairprinciples
 FORCE 11 (2014b). Guiding Principles for Findable, Accessible, Interoperable and Re-usable Data
Publishing version b1.0. FORCE11. Retrieved 18 January 2017, from
https://www.force11.org/fairprinciples
 H2020 Guidelines on FAIR Data Management:
http://ec.europa.eu/research/participants/data/ref/h2020/grants_manual/hi/oa_pilot/h2020-hi-oa-data-
mgt_en.pdf
 Sansone, S.-A. et al. (2017) DATS: the data tag suite to enable discoverability of datasets. bioRxiv,
103143.
 Starr, J. et al. (2015) Achieving human and machine accessibility of cited data in scholarly
publications. PeerJ Comp Sci, 1, e1.
 Wilkinson, M. D. et al. (2016) The FAIR Guiding Principles for scientific data management and
stewardship. Scientific data, 3.
 Wilkinson, M. D. et al. (2017) Interoperability and FAIRness through a novel combination of Web
technologies (No. e2522v2). PeerJ Preprints.
Images Used
 Magnifying glass icon: http://images.clipartpanda.com/magnifying-glass-clipart-biy5E46iL.png
 Key icon: https://img.clipartfest.com/7b75f290f4781b7331b6bb477ab7ea69_black-olde-key-clip-art-key-black-and-white-clipart_640-480.svg
 Gears icon: https://cdn.shutterstock.com/shutterstock/videos/10879745/thumb/1.jpg
 Recycling icon: http://www.recycling.com/wp-content/uploads/recycling%20symbols/black/ Black%20Recycling%20Symbol%20(U+267B).gif
 Green pie chart: http://www.psycinsight.co.nz/wp-content/uploads/2015/03/pie-chart-green.jpg
 Documentation icon: https://d30y9cdsu7xlg0.cloudfront.net/png/192334-200.png
 Missing puzzle pieces: http://www.lshtm.ac.uk/php/departmentofhealthservicesresearchandpolicy/researchareas/economic/
addressingmissingdataincea/puzzle_300.jpg
 Vocabulary: http://dev3.ccs.miami.edu:8080/apis/#/datasets
 Ontology: https://1.bp.blogspot.com/-gNWHuPpPhDA/T060tS4uk_I/AAAAAAAAqK0/G2Mb69rwMZg/s1600/GO.png
 Metadata sphere: https://silwoodtechnology.files.wordpress.com/2013/07/metadata_ball.jpg
 Diminishing returns: https://personalexcellence.co/files/graph-diminishing-returns.gif
 Documentation: Open book: https://mountainss.files.wordpress.com/2012/09/sysctr-documentation-icon.jpg?w=611
 Ontology on blackboard: http://www.emiliosanfilippo.it/wp-content/uploads/2011/11/Ontology.jpg
 Data Seal of Approval: http://datasupport.researchdata.nl/uploads/pics/logo_DSA_regulier_120x120_01.jpeg
 Diverse users: http://ymedialabs.com/wp-content/uploads/2016/02/target.jpg
 Pins in map: https://www.gladd.co.uk/images/images/mystery_location.jpg
 Checklist: http://vinciworks.com/blog/wp-content/uploads/2017/03/Data-protection-checklist.png
 Bull’s eye of relevance: http://jisushopping.net/B2Bblog/wp-content/uploads/2013/11/JiSu-B2B-Blog-Marketing-Offer-Relevance.jpg
 Questions: http://download.4-designer.com/files/20121225/3D-villain-with-a-question-mark-high-quality-pictures-2-34592-thumb.jpg

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FAIRness Assessment of the Library of Integrated Network-based Cellular Signatures (LINCS) Resources

  • 1. Implementing the FAIR Principles in the Library of Integrated Network-based Cellular Signatures (LINCS) Resources Kathleen Jagodnik, Ph.D. Ma’ayan Laboratory Department of Pharmacological Sciences Icahn School of Medicine at Mount Sinai New York, New York BD2K FAIRness Metrics Working Group June 13, 2017
  • 2. Overview of the LINCS Project
  • 3. Overview of the LINCS Project Source: Avi Ma’ayan, PhD
  • 4. Overview of the LINCS Project Source: Avi Ma’ayan, PhD
  • 5. Overview of the LINCS Project Source: Vasileios Stathias KINOMEscan P100 Assay MEMA Integration of Data Biochemical KiNativ Proteomic SWATH-MS Transcriptomic RNA-seq L1000 Imaging Fluorescence Microscopy Epigenomic ATAC-seq Global Chromatin Profiling
  • 6. Overview of the LINCS Project
  • 7. Overview of the LINCS Project
  • 8. FAIRness Principles Wilkinson MD et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship. Scientific Data, 3: 160018.
  • 9. Starr, J., Castro, E., Crosas, M., Dumontier, M., Downs, R. R., Duerr, R., ... & Clark, T. (2015). Achieving human and machine accessibility of cited data in scholarly publications. PeerJ Computer Science, 1, e1.
  • 14. FAIRness Guidelines Wilkinson MD et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship. Scientific Data, 3: 160018.
  • 15. Assessing FAIRness of LINCS Resources Wilkinson MD et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship. Scientific Data, 3: 160018. LINCS Resources
  • 16. Workflows for Assessing LINCS FAIRness Reusability Metric R1: meta(data) are richly described with a plurality of accurate and relevant attributes Sub-Metric R1.1: (meta)data are released with a clear and accessible data usage license
  • 17. Findability of LINCS Resources
  • 19.  6 participants  3 hours  Discussed a range of open questions related to LINCS FAIRness  Produced a Jupyter Notebook that reports statistics for domains associated with first-page Google search results for specified queries DCIC Data Science Symposium Hackathon
  • 20. Jupyter Notebook for Assessing Google Search Results Query Phrases: LDP NPC methotrexate dataset Valproic Acid dataset MCF7 cells Cancer cell line chemical perturbation dataset Imatinib perturbation dataset Radicolol cell perturbation signature NPC perturbation Methotrexate genes MCF7 MCF7 RNAseq MCF7 L1000
  • 21. Assessment of Google Search Results
  • 22. Assessment of Google Search Results
  • 23. Assessment of Google Search Results
  • 24. Assessment of Google Search Results
  • 25. Assessment of Google Search Results
  • 26. The Problem of Disambiguation LINCS LDS-1299 https://www.lds.org/ http://lincsportal.ccs.miami.edu/ datasets/#/view/LDS-1299
  • 28. The LINCS Data Portal
  • 29. The LINCS Data Portal
  • 30. Recommended Content for Landing Pages Starr, J., Castro, E., Crosas, M., Dumontier, M., Downs, R. R., Duerr, R., ... & Clark, T. (2015). Achieving human and machine accessibility of cited data in scholarly publications. PeerJ Computer Science, 1, e1.
  • 35. LINCS Metadata Standards on BioSharing.org
  • 37. The smartAPI Project smartAPI Specification https://websmartapi.github.io/smartapi_specification/
  • 38. The smartAPI Project smartAPI Specification https://websmartapi.github.io/smartapi_specification/ 54 API metadata elements, 21 unique to smartAPI
  • 39. The smartAPI Project smartAPI Editor http://smart-api.info/editor/#/
  • 40. The smartAPI Project smartAPI Registry http://smart-api.info/registry/
  • 41. BD2K API Interoperability Working Group Co-chairs: Chunlei Wu Michel Dumontier cwu@scripps.edu michel.dumontier@maastrictuniversity.nl Administrators: Sam Moore Denise Luna samuel.moore@nih.gov deniseluna@bd2kccc.org
  • 42.
  • 43. Reusability of LINCS Resources
  • 44. LINCS Data Release Policy http://www.lincsproject.org/LINCS/data/release-policy
  • 45. LINCS Data Release Policy http://www.lincsproject.org/LINCS/data/release-policy
  • 46. LINCS Data Release Policy http://www.lincsproject.org/LINCS/data/release-policy
  • 48. Mechanism for User Feedback
  • 49. Mechanism for User Feedback
  • 50.  Assessed 10 biomedical projects’ licensing info  Sites do not tend to differentiate between data and software  Policies differ widely by resource  Some resources have copyrights, and others don't ~ Some, such as FlyBase, have different copyrights that apply to subsets of resources  Some allow unrestricted use for non-commercial purposes, and require a license for commercial use.  “As-is” disclaimers on some sites  Privacy policies sometimes available; option to opt out  Login typically not required; use of cookies Licensing Survey
  • 51. 1. The repository has an explicit mission to provide access to and preserve data in its domain. 2. The repository maintains all applicable licenses covering data access and use and monitors compliance. 3. The repository has a continuity plan to ensure ongoing access to and preservation of its holdings. 4. The repository ensures, to the extent possible, that data are created, curated, accessed, and used in compliance with disciplinary and ethical norms. 5. The repository has adequate funding and sufficient numbers of qualified staff managed through a clear system of governance to effectively carry out the mission. 6. The repository adopts mechanism(s) to secure ongoing expert guidance and feedback (either in-house, or external, including scientific guidance, if relevant). 7. The repository guarantees the integrity and authenticity of the data. 8. The repository accepts data and metadata based on defined criteria to ensure relevance and understandability for data users. The Core Trustworthy Data Repository Requirements https://www.datasealofapproval.org/en/information/requirements/
  • 52. 9. The repository applies documented processes and procedures in managing archival storage of the data. 10. The repository assumes responsibility for long-term preservation and manages this function in a planned and documented way. 11. The repository has appropriate expertise to address technical data and metadata quality and ensures that sufficient information is available for end users to make quality-related evaluations. 12. Archiving takes place according to defined workflows from ingest to dissemination. 13. The repository enables users to discover the data and refer to them in a persistent way through proper citation. 14. The repository enables reuse of the data over time, ensuring that appropriate metadata are available to support the understanding and use of the data. 15. The repository functions on well-supported operating systems and other core infrastructural software and is using hardware and software technologies appropriate to the services it provides to its Designated Community. 16. The technical infrastructure of the repository provides for protection of the facility and its data, products, services, and users. The Core Trustworthy Data Repository Requirements https://www.datasealofapproval.org/en/information/requirements/
  • 53.  Beyond addressing repositories, develop standards for datasets & tools  Lists of 25 binary criteria for separately evaluating LINCS datasets & tools  Criteria will be updated annually  Open-source Web-based system  Self-evaluation or independent third-party assessment are possibilities Developing New Standards for Datasets & Tools
  • 56. Distribution of FAIR Principles across Criteria
  • 57. FAIRness Assessment for Example LINCS Dataset Key: Blue: Criterion is satisfied Red: Criterion is not satisfied Black: More info is required to reach a conclusion
  • 58. FAIRness Assessment for Example LINCS Dataset The dataset is available in a human-readable format
  • 59. FAIRness Assessment for Example LINCS Dataset
  • 60. FAIRness Assessment for Example LINCS Tool Key: Blue: Criterion is satisfied Red: Criterion is not satisfied Black: More info is required to reach a conclusion
  • 61. FAIRness Assessment for Example LINCS Tool All previous versions of the tool are made available
  • 62. FAIRness Assessment for Example LINCS Tool
  • 63. Challenges in Assessing LINCS FAIRness ?
  • 66.  How to assess the quality of information in an automated manner?  How to clearly differentiate among FAIRness criteria and sub-criteria ~ Will this differ by project?  Do certain criteria precede others? Open Questions
  • 69. Acknowledgments  Stephan Schurer, Ph.D.  Dusica Vidovic, Ph.D.  Daniel Cooper, Ph.D.  Raymond Terryn, Ph.D.  Caty Chung, M.S.  Vasileios Stathias, B.S.  Ajay Pillai, Ph.D.  Avi Ma’ayan, Ph.D. NIH T32 Training Grant #4T32HL007824-19  Denis Torre, B.S.  Alexandra Keenan, M.S.  Wen Niu, M.S.
  • 70. References  Dunning A., de Smaele M., Bohmer J. (2017) Are the FAIR Data Principles fair? IDCC17 Practice Paper. The 12th International Digital Curation Conference, February 20-23, 2017, Edinburgh, Scotland.  FORCE 11 (2014a). The FAIR Data Principles. FORCE11. Retrieved 18 January 2017, from https://www.force11.org/group/fairgroup/fairprinciples  FORCE 11 (2014b). Guiding Principles for Findable, Accessible, Interoperable and Re-usable Data Publishing version b1.0. FORCE11. Retrieved 18 January 2017, from https://www.force11.org/fairprinciples  H2020 Guidelines on FAIR Data Management: http://ec.europa.eu/research/participants/data/ref/h2020/grants_manual/hi/oa_pilot/h2020-hi-oa-data- mgt_en.pdf  Sansone, S.-A. et al. (2017) DATS: the data tag suite to enable discoverability of datasets. bioRxiv, 103143.  Starr, J. et al. (2015) Achieving human and machine accessibility of cited data in scholarly publications. PeerJ Comp Sci, 1, e1.  Wilkinson, M. D. et al. (2016) The FAIR Guiding Principles for scientific data management and stewardship. Scientific data, 3.  Wilkinson, M. D. et al. (2017) Interoperability and FAIRness through a novel combination of Web technologies (No. e2522v2). PeerJ Preprints.
  • 71. Images Used  Magnifying glass icon: http://images.clipartpanda.com/magnifying-glass-clipart-biy5E46iL.png  Key icon: https://img.clipartfest.com/7b75f290f4781b7331b6bb477ab7ea69_black-olde-key-clip-art-key-black-and-white-clipart_640-480.svg  Gears icon: https://cdn.shutterstock.com/shutterstock/videos/10879745/thumb/1.jpg  Recycling icon: http://www.recycling.com/wp-content/uploads/recycling%20symbols/black/ Black%20Recycling%20Symbol%20(U+267B).gif  Green pie chart: http://www.psycinsight.co.nz/wp-content/uploads/2015/03/pie-chart-green.jpg  Documentation icon: https://d30y9cdsu7xlg0.cloudfront.net/png/192334-200.png  Missing puzzle pieces: http://www.lshtm.ac.uk/php/departmentofhealthservicesresearchandpolicy/researchareas/economic/ addressingmissingdataincea/puzzle_300.jpg  Vocabulary: http://dev3.ccs.miami.edu:8080/apis/#/datasets  Ontology: https://1.bp.blogspot.com/-gNWHuPpPhDA/T060tS4uk_I/AAAAAAAAqK0/G2Mb69rwMZg/s1600/GO.png  Metadata sphere: https://silwoodtechnology.files.wordpress.com/2013/07/metadata_ball.jpg  Diminishing returns: https://personalexcellence.co/files/graph-diminishing-returns.gif  Documentation: Open book: https://mountainss.files.wordpress.com/2012/09/sysctr-documentation-icon.jpg?w=611  Ontology on blackboard: http://www.emiliosanfilippo.it/wp-content/uploads/2011/11/Ontology.jpg  Data Seal of Approval: http://datasupport.researchdata.nl/uploads/pics/logo_DSA_regulier_120x120_01.jpeg  Diverse users: http://ymedialabs.com/wp-content/uploads/2016/02/target.jpg  Pins in map: https://www.gladd.co.uk/images/images/mystery_location.jpg  Checklist: http://vinciworks.com/blog/wp-content/uploads/2017/03/Data-protection-checklist.png  Bull’s eye of relevance: http://jisushopping.net/B2Bblog/wp-content/uploads/2013/11/JiSu-B2B-Blog-Marketing-Offer-Relevance.jpg  Questions: http://download.4-designer.com/files/20121225/3D-villain-with-a-question-mark-high-quality-pictures-2-34592-thumb.jpg