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SEDL / STP / STP1214-EB
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STP1214
Computerized Chemical Data Standards: Databases, Data Interchange, and Information Systems
Lysakowski R, Gragg CE
Pages: 156
Published: 1994
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To remain competitive, industries most computerize as much of their chemical data as possible. Manufacturers dependent on chemical data need access to rapid, on-line information, and yet few formal standards exist for database storage, the exchange of chemical structure data, analytical chemistry data, or for presentation of chemical information to end users. STP 1214 presents 13 peer-reviewed papers written by leaders in the field of chemical data computerization. The papers cover: • molecular structure information • analytical (testing) laboratory information • and presentation and publication of chemical data. This handy reference provides you with examples on how to standardize data interchange; explanations on techniques such as abstract data modeling, object-oriented analysis, design, and implementation; and requirements for current and future standards in chemistry, including systems modeling and abstract data modeling.
Table of Contents
OCR of Chemical Structure Diagrams
Balmuth J., McDaniel J.
Proposed Preferred Method for Displaying Three- Dimensional Structure Information of Matter/Molecules
Barcza S.
Object Data Models for Shared Molecular Structures
Bair R., Cushing J., DeVaney D., Feller D., Hansen D., Maier D., Purvis G., Thompson M.
Babel — A Tool for Converting Between Molecular Structural Data Formats
Dolata D., Shah A., Shah R., Walters W.
NetCDF — A Defacto, Standardized Framework for Analytical Data Exchange, Storage, and Archival
Lysakowski R.
Evolution of an Interchange Specification for Mass Spectrometric Data
Campbell S., Christopher R., Stranz D., Watt J., Zakett D.
The Demand for and the Value of a Standard, Unified Data Architecture for Analytical Testing Data
Weimar R.
Future ADISS Data Architecture for Materials, Properties and Analytical Testing
Weimar R.
Surface Science Spectra: Practical Aspects of Applying Transformation Modeling to Analytical Data
Gaarenstroom S., Lee R.
Considerations in the Maintenance and Dissemination of the Powder Diffraction File Database
Fornoff M., Holomany M., Jenkins R., King M.
An Information Architecture for Composites Design and the Role of Knowledge-Based Systems and Product Data Exchange Standards
Hawley M., Kamel A., McDowell J., Stickten J.
The Use of SGML for Retrieval of Chemical Data
Barry K., Kienlen P., Mason J., Strehlow R., Tallant T.
Visual Presentation of Numerical and Scientific Data in Printed Publications
King M., Lawyer B.
Committee: E49
Paper ID: STP1214-EB
DOI: 10.1520/STP1214-EB
ISBN-EB: 978-0-8031-5273-1
 ASTM International is a member of CrossRef.
0-8031-1876-7
978-0-8031-1876-8
STP1214-EB
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