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Title: Metadata in the Collaboratory for Multi-Scale Chemical Science

Abstract

The goal of the Collaboratory for the Multi-scale Chemical Sciences (CMCS) [1] is to develop an informatics-based approach to synthesizing multi-scale chemistry information to create knowledge in the chemical sciences. CMCS is using a portal and metadata-aware content store as a base for building a system to support inter-domain knowledge exchange in chemical science. Key aspects of the system include configurable metadata extraction and translation, a core schema for scientific pedigree, and a suite of tools for managing data and metadata and visualizing pedigree relationships between data entries. CMCS metadata is represented using Dublin Core with metadata extensions that are useful to both the chemical science community and the science community in general. CMCS is working with several chemistry groups who are using the system to collaboratively assemble and analyze existing data to derive new chemical knowledge. In this paper we discuss the project’s metadata-related requirements, the relevant software infrastructure, core metadata schema, and tools that use the metadata to enhance science

Authors:
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Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
985612
Report Number(s):
PNNL-SA-39194
KJ0102000; TRN: US201016%%1997
DOE Contract Number:
AC05-76RL01830
Resource Type:
Conference
Resource Relation:
Conference: DC-2003: Proceedings of the 2003 International Conference on Dublin Core and Metadata Applications: Supporting Communities of Discourse and Practice - Metadata Research & Applications, Article No. 13
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICAL METHODS AND COMPUTING; CHEMISTRY; COORDINATED RESEARCH PROGRAMS; INFORMATION DISSEMINATION; INFORMATION SYSTEMS; chemistry, metadata, knowledge management, collaboratory, Dublin Core, WebDAV.

Citation Formats

Pancerella, Carmen M., Hewson, John, Koegler, Wendy S., Leahy, David, Lee, Michael, Rahn, Larry, Yang, Christine, Myers, James D., Didier, Brett T., McCoy, Renata, Schuchardt, Karen L., Stephan, Eric G., Windus, Theresa L., Amin, Kaizer, Bittner, Sandra, Lansing, Carina S., Minkoff, Michael, Nijsure, Sandeep, von Laszewski, Gregor, Pinzon, Reinhardt, Ruscic, Branko, Wagner, Albert F., Wang, Baoshan, Pitz, William, Ho, Yen-Ling, Montoya, David W., Xu, Lili, Allison, Thomas C., Green, William H., and Frenklach, Michael. Metadata in the Collaboratory for Multi-Scale Chemical Science. United States: N. p., 2003. Web.
Pancerella, Carmen M., Hewson, John, Koegler, Wendy S., Leahy, David, Lee, Michael, Rahn, Larry, Yang, Christine, Myers, James D., Didier, Brett T., McCoy, Renata, Schuchardt, Karen L., Stephan, Eric G., Windus, Theresa L., Amin, Kaizer, Bittner, Sandra, Lansing, Carina S., Minkoff, Michael, Nijsure, Sandeep, von Laszewski, Gregor, Pinzon, Reinhardt, Ruscic, Branko, Wagner, Albert F., Wang, Baoshan, Pitz, William, Ho, Yen-Ling, Montoya, David W., Xu, Lili, Allison, Thomas C., Green, William H., & Frenklach, Michael. Metadata in the Collaboratory for Multi-Scale Chemical Science. United States.
Pancerella, Carmen M., Hewson, John, Koegler, Wendy S., Leahy, David, Lee, Michael, Rahn, Larry, Yang, Christine, Myers, James D., Didier, Brett T., McCoy, Renata, Schuchardt, Karen L., Stephan, Eric G., Windus, Theresa L., Amin, Kaizer, Bittner, Sandra, Lansing, Carina S., Minkoff, Michael, Nijsure, Sandeep, von Laszewski, Gregor, Pinzon, Reinhardt, Ruscic, Branko, Wagner, Albert F., Wang, Baoshan, Pitz, William, Ho, Yen-Ling, Montoya, David W., Xu, Lili, Allison, Thomas C., Green, William H., and Frenklach, Michael. Thu . "Metadata in the Collaboratory for Multi-Scale Chemical Science". United States. doi:.
@article{osti_985612,
title = {Metadata in the Collaboratory for Multi-Scale Chemical Science},
author = {Pancerella, Carmen M. and Hewson, John and Koegler, Wendy S. and Leahy, David and Lee, Michael and Rahn, Larry and Yang, Christine and Myers, James D. and Didier, Brett T. and McCoy, Renata and Schuchardt, Karen L. and Stephan, Eric G. and Windus, Theresa L. and Amin, Kaizer and Bittner, Sandra and Lansing, Carina S. and Minkoff, Michael and Nijsure, Sandeep and von Laszewski, Gregor and Pinzon, Reinhardt and Ruscic, Branko and Wagner, Albert F. and Wang, Baoshan and Pitz, William and Ho, Yen-Ling and Montoya, David W. and Xu, Lili and Allison, Thomas C. and Green, William H. and Frenklach, Michael},
abstractNote = {The goal of the Collaboratory for the Multi-scale Chemical Sciences (CMCS) [1] is to develop an informatics-based approach to synthesizing multi-scale chemistry information to create knowledge in the chemical sciences. CMCS is using a portal and metadata-aware content store as a base for building a system to support inter-domain knowledge exchange in chemical science. Key aspects of the system include configurable metadata extraction and translation, a core schema for scientific pedigree, and a suite of tools for managing data and metadata and visualizing pedigree relationships between data entries. CMCS metadata is represented using Dublin Core with metadata extensions that are useful to both the chemical science community and the science community in general. CMCS is working with several chemistry groups who are using the system to collaboratively assemble and analyze existing data to derive new chemical knowledge. In this paper we discuss the project’s metadata-related requirements, the relevant software infrastructure, core metadata schema, and tools that use the metadata to enhance science},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Oct 02 00:00:00 EDT 2003},
month = {Thu Oct 02 00:00:00 EDT 2003}
}

Conference:
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