Nanomaterials Registry

 Anthony Hickey, Alexander Tropsha, Karmann Mills RTI Interna7onal Nanoinforma7cs – Arlington, VA January 27, 2015 1 Comprehensively curated, validated data on a scale suitable for decision making Web Address: www.nanomaterialregistry.org Funded by: 2 Minimal InformaDon about Nanomaterials (MIAN) DOMAIN: CHARACTERIZATION + STUDY DATA Property Measurement
Material s and Reference Materials Benchmark Data. Meta Data The data about the data. 3 I system proper7es. Ecological Impact on the natural environment. Medical Drug delivery, nanomedicine Toxicology applica7ons. poten7al toxicity of nanomaterials. Validated both programma7cally and by a team of scien7sts Integrated through controlled vocabulary and data formaOng Relevant growing body of data that is available to the public Minimal InformaDon about Nanomaterials (MIAN) MEASUREMENT PROPERTIES Reference Materials Meta Data Toxicological Studies Medical Applica8ons Environmental Studies ·∙ ·∙ ·∙ ·∙ ·∙ ·∙ ·∙ Particle Size
·∙ Size distribution
·∙ Surface area
·∙ Shape
·∙ Composition
·∙ Aggregation/
Agglomeration state
Purity
Surface chemistry
Surface charge
Surface reactivity
Solubility
Stability
PCC Data
12 Physical and
Chemical
Characteristics
Protocal &
Parameters
Information about
instrumentation
settings
Best Practice
Questions
Meta data about
measurement
technique
A controlled vocabulary of PCC & measurands have been iden7fied (h_ps://
4 I www.nanomaterialregistry.com/resources/Glossary.aspx) DATA QUALITY METRIC The Nanomaterial Registry’s COMPLIANCE LEVEL FEATURE provides a METRIC on the QUALITY of characteriza7on of a nanomaterial record Compliance Level Score Gold 76-­‐100 Silver 51-­‐75 Bronze 26-­‐50 Merit 0-­‐25 Medal COMPLIANCE LEVELS are broken into MERIT, BRONZE, SILVER, and GOLD and represent increasing quality of characteriza7on based on our evalua7on criteria A COMPLIANCE LEVEL SCORE is a quan7ta7ve value calculated by an algorithm MORE INFORMATION: h_ps://www.nanomaterialregistry.com/about/
HowIsComplianceCalculated.aspx 5 Web Address: www.nanomaterialregistry.org 6 EXPORTING DATA nanoHUB COLLABORATION •  Offer the Registry’s data in a format geared toward the data-­‐
modeling community •  Filtering of the data from the perspec7ve of study informa7on (vs. physico-­‐chemical) •  Viewing and filtering in a spreadsheet style nanoHUB COLLABORATION •  Current collabora7on will offer 7me-­‐stamped Registry data in a Registry Portal at nanoHUB –  Focused on records available with associated bio/env studies –  Available for filtering and export •  Prototype expected March 2015 STATE OF THE SCIENCE Evolving Registry and Tools •  Gap Filling •  Decision Making Search Enter new data into the Registry Design Experiments Answer Inference 10 LINKING AND SHARING INFORMATION Ontology/Taxonomy Create data linkages and provide users with the abilty to retrieve informa7on
DATA User Interface Provide guidance to end users without backend complexity, share informa7on Sustainable Data Build and validate applica7ons CURRENT REALITY 11 APPLICATIONS CURRENT NEED DATA SHARING Data and Metadata shared in a public repository Research Mo7vated •  Easy-­‐to-­‐use tools •  Par7cular goals of collabora7on 12 Journal Requirement •  Journals need convincing Funding Requirement •  Understand the ROI DATA SHARING “Beginning in January 2015, we will start asking authors of all life sciences submissions that are sent out for peer review to complete relevant por7ons of the same checklist (available at h_p://www.nature.com/authors/policies/checklist.pdf), and will make the document available to referees during review.” 13 Nanomaterial Registry as an important tool for compliance with the NIH Data Sharing Policy Department of Health and Human Services Part 1. Overview Information
Funding Opportunity Title
Centers of Cancer Nanotechnology Excellence (CCNE) (U54)
Funding Opportunity Announcement (FOA) Number: RFA-­‐CA-­‐14-­‐013 The applicants are encouraged to consider using, as appropriate, various
relevant NCI-supported resources described below. Nanotechnology-related informatics.
….
NCI supports the Nanomaterial Registry (https://www.nanomaterialregistry.org/),
which archives research data on nanomaterials and their biological and
environmental implications from a broad collection of publically available
nanomaterial resources. DEMOGRAPHIC QUESTIONS CHALLENGE: STREAMLINING DATA COLLECTION The current workflow for data sharing is not streamlined PUBLICATION WORKFLOW Primary Data CollecDon Possible use electronic notebooks
CURATION WORKFLOW PDF of Peer Reviewed Paper From scien7fic journal Data FormaWng Manual Data ExtracDon For Publica7on in the literature
And conversion to electronic format PublicaDon Process Data CuraDon Submission and review PDF of Peer Reviewed Paper For scien7fic journal Using process and webbased tools
Data Available through Portal Data is validated and published PURPOSE: GROW THE DATA REPOSITRY 16 THANK YOU! www.nanomaterialregistry.org [email protected] Select Project PublicaDons •  Ostraat, M., Mills, K. C., Murry, D. A., Guzan, K. A. (2012). Nanomaterial Registry: Opportuni7es and Challenges in Informa7cs. In 2012 IEEE Interna8onal Conference on Bioinforma8cs and Biomedicine Workshops, pp. 884–888. •  Ostraat, M., Mills, K. C., Guzan, K. A., & Murry, D. A. (2013). The Nanomaterial Registry: Facilita7ng the Sharing and Analysis of Data in the Diverse Nanomaterial Community. Interna8onal Journal of Nanomedicine, 8(Suppl 1), 7–13. doi:10.2147/IJN.S40722 •  Guzan, K. A., Mills, K. C., Gupta, V., Murry, D. A., Scheirer, C. N., Willis, D. A., & Ostraat, M. (2013). Integra7on of data: The Nanomaterial Registry project and data cura7on. Computa8onal Science and Discovery, 6(1), 1–8. •  Mills, K. C., Murry, D. A., Guzan, K. A., & Ostraat, M. (2014). Nanomaterial Registry: database that captures the minimal informa7on about nanomaterial physico-­‐chemical characterisitcs. Journal of Nanopar8cle Research , 16, 2219. doi:10.1007/s11051-­‐013-­‐2219-­‐8 •  Guzan, K. A., Gupta, V., Mills, K. C., & Ostraat, M. (2014). A Nanomaterial Registry. In Ma_hew Hull and Diana Bowman (Eds.), Nanotechnology Environmental Health and Safety, Second Edi8on: Risks, Regula8on, and Management. (pp. 153–172). Waltham, MA: Elsevier. 17