Environmental Uses of the NIH-EPA Chemical Information System
- 22 January 1982
- journal article
- research article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 215 (4531) , 371-375
- https://doi.org/10.1126/science.7058322
Abstract
A publicly accessible computer system for chemical information has been developed jointly by a number of agencies of the U.S. government. The system contains spectroscopic, crystallographic, toxicological, and regulatory data for more than 200,000 chemicals. The entire data base may be searched for a particular chemical structure or substructure, whose properties may then be retrieved. Alternatively, searching with numeric properties data is possible, permitting the identification of chemicals. Access is by local telephone call, and the system is used on a fee-for-service basis by organizations in over 20 countries. An important application of the system is to problems of chemical pollution.Keywords
This publication has 24 references indexed in Scilit:
- Cambridge Data File in organic chemistry. Applications to transition-state structure, conformational analysis, and structure/activity studiesThe Journal of Organic Chemistry, 1980
- Mlab — A mathematical modeling toolComputer Programs in Biomedicine, 1979
- The role of pattern recognition in the computer-aided classification of mass spectraAnalytica Chimica Acta, 1979
- The NIH-EPA chemical information systemEnvironmental Science & Technology, 1979
- Spectra–structure relationships in carbon‐13 nuclear magnetic resonance spectroscopy. Results from a large data baseMagnetic Resonance in Chemistry, 1979
- A substructure-oriented 13c-nmr chemical shift retrieval systemAnalytica Chimica Acta, 1978
- A quality index for reference mass spectraJournal of Mass Spectrometry, 1978
- Conversational mass spectral search system. Display and plotting of spectra and dissimilarity comparisonAnalytical Chemistry, 1974
- Conversational Mass Spectral Search System. IV. The Evolution of a System for the Retrieval of Mass Spectral InformationJournal of Chemical Documentation, 1973
- GINA. Graphical interactive nuclear magnetic resonance analysis programAnalytical Chemistry, 1972