Science · 1982 · 13 citations · 21 references
Natural SciencesChemistryToxicologyEnvironmental ChemistryEnvironmental ToxicologyRegulatory ToxicologyChemical Hazard AssessmentChemical Risk ManagementEnvironmental AnalysisEnvironmental Data ManagementChemical Entity RepresentationChemical Library DatabasesChemical PollutionChemical Structure ClassificationEnvironmental DatabasesEnvironmental Information AccessRegulatory Data ProtectionToxicology Database Systems
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.
21
Mlab — A mathematical modeling tool
Gary D. Knott · Computer Programs in Biomedicine · 1979 · 380 citations
Molecular mechanics and the camseq processor
Rudolph Potenzone, Elizabeth Cavicchi, Herschel J. R. Weintraub et al. · Computers & Chemistry · 1977 · 56 citations
Natural Sciences, Chemistry, Physics +13