Brief Records : EPA National Library Catalog

Items Found: 265
Showing Items: 151 - 175
Your Search: (SUBJECT=Molecular structure)

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Document Number: 151 Full Record
Main Title SFILES. User's Guide (Draft).
CORP Author General Software Corp., Landover, MD.;Environmental Protection Agency, Washington, DC. Office of Pesticides and Toxic Substances.
Year Published 1984
Report Number EPA-68-02-3970;
Stock Number PB86-140639
Additional Subjects Molecular structure ; Environmental surveys ; Hydrogen ; Chemical bonds ; Quantitative structure activity relationship ; SFILES programming language ; User manuals(Computer programs)
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NTIS  PB86-140639 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 40p

Document Number: 152 Full Record
Main Title Shape in chemistry : an introduction to molecular shape and topology /
Author Mezey, Paul G.
Publisher VCH,
Year Published 1993
OCLC Number 27934984
ISBN 0895737272 (New York : acid-free paper) 3527279326 (Weinheim : acid-free paper)
Subjects Molecular structure ; Topology ; Structure moleculaire ; Topologie
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EJEM  QD461.M583 1993 OCSPP Chemical Library/Washington,DC 07/03/1997
Collation xi, 224 p. : ill. ; 24 cm.

Document Number: 153 Full Record
Main Title Simple Method for the Representation, Quantification, and Comparison of the Volumes and Shapes of Chemical Compounds.
Author Stouch, T. R. ; Jurs, P. C. ;
CORP Author Pennsylvania State Univ., University Park.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1986
Report Number EPA-R-811037; EPA/600/J-86/048;
Stock Number PB86-200912
Additional Subjects Computer graphics ; Mathematical models ; Volume ; Algorithms ; Organic compounds ; Computerized simulation ; Molecular structure ; Reprints ; Molecular models ; Surface area ; Three dimensional
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NTIS  PB86-200912 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 12p

Document Number: 154 Full Record
Main Title SMILES, a line notation and computerized interpreter for chemical structures /
Author Anderson, Eric, ; Veith, G. D. ; Weininger, D.
Other Authors
Author Title of a Work
Veith, Gilman D.
Weininger, David.
CORP Author Environmental Research Lab.-Duluth, MN. ;Computer Sciences Corp., Falls Church, VA.
Publisher U.S. Environmental Protection Agency, Environmental Research Laboratory,
Year Published 1987
Report Number EPA/600-M-87-021
Stock Number PB88-130034
OCLC Number 20862752
Subjects Chemical structure--Computer programs
Additional Subjects Computer graphics ; Molecular structure ; Computer techniques ; Chemical structures ; SMILES ; Line notations
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=2000CAUR.PDF
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EHAM  EPA/600/M-87/021 Region 1 Library/Boston,MA 05/25/2016
EJAD  EPA 600/M-87-021 Region 3 Library/Philadelphia, PA 03/20/1992
EJBD  EPA 600-M-87-021 c.1-2 Headquarters Library/Washington,DC 11/01/2013
EKBD  EPA-600/M-87-021 Research Triangle Park Library/RTP, NC 08/23/2010
ELBD ARCHIVE EPA 600-M-87-021 In Binder Received from HQ AWBERC Library/Cincinnati,OH 10/04/2023
ELBD RPS EPA 600-M-87-021 repository copy AWBERC Library/Cincinnati,OH 10/17/2014
NTIS  PB88-130034 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 4 pages : illustrations ; 28 cm.

Document Number: 155 Full Record
Main Title Spectroscopic Characterization of Some Chlorinated Tricyclic Hydrocarbons of the C10 Series: Chlordanes, Chlordenes and Nonachlors.
Author Wilson, Nancy K. ; Sovocool., G. Wayne ;
CORP Author Health Effects Research Lab., Research Triangle Park, N.C. Environmental Toxicology Div.
Year Published 1977
Report Number EPA/600/J-77/098;
Stock Number PB-278 615
Additional Subjects Pesticides ; Chlordan ; Spectrochemical analysis ; Chlorine organic compounds ; Molecular structure ; Nuclear magnetic resonance ; Mass spectroscopy ; Infrared spectroscopy ; Ultraviolet spectroscopy ; Reprints ; Methanoindene/octachloro-hexahydro ; Compound K ; Chlordene ; Nonachlor ; Methanoindan/nonachloro-tetrahydro
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NTIS  PB-278 615 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 8p

Document Number: 156 Full Record
Main Title State-of-the-art of structure activity methods development /
Author Veith, Gilman D.
Publisher U.S. Environmental Protection Agency, Research and Development, Environmental Research Laboratory ; Center for Environmental Research Information [distributor],
Year Published 1981
Report Number EPA/600-S3-81-029
OCLC Number 08209129
Subjects Molecular structure ; Organic compounds ; Toxicology--Measurement
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=2000TSDI.PDF
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EJBD  EPA 600-S3-81-029 In Binder Headquarters Library/Washington,DC 09/10/2018
ELBD ARCHIVE EPA 600-S3-81-029 In Binder Received from HQ AWBERC Library/Cincinnati,OH 10/04/2023
Collation 3 pages ; 28 cm

Document Number: 157 Full Record
Main Title State-of-the-art of structure activity methods development /
Author Veith, Gilman D.
CORP Author Environmental Research Lab., Duluth, MN.
Publisher U.S. Environmental Protection Agency, Research and Development, Environmental Research Laboratory ; Center for Environmental Research Information [distributor],
Year Published 1981
Report Number EPA 600/3-81-029
Stock Number PB81-187239
OCLC Number 40768739
Subjects Molecular structure ; Organic compounds ; Toxicology--Measurement
Additional Subjects Organic compounds ; Molecular structure ; Toxicity ; Environmental surveys ; Mathematical models ; Information systems ; Water pollution ; Monitoring ; Assessments ; Toxic substances ; Quantitative structure activity relationship ; State of the art ; Numerical solution ; Water quality
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=910075W7.PDF
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EKCD  EPA-600/3-81-029 CEMM/GEMMD Library/Gulf Breeze,FL 07/10/2018
ELDD  EPA 600/3-81-029 CCTE/GLTED Library/Duluth,MN 02/12/1999
NTIS  PB81-187239 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation ii, 113 pages ; 28 cm

Document Number: 158 Full Record
Main Title Strained organic molecules
Author Greenberg, Arthur.
Other Authors
Author Title of a Work
Liebman, Joel F.
Publisher Academic Press,
Year Published 1978
OCLC Number 03650981
ISBN 0122995503
Subjects Chemistry, Physical organic ; Molecular structure
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ELBM  QD476.G66 1978 AWBERC Library/Cincinnati,OH 03/14/1997
Collation xi, 406 p. : ill. ; 24 cm.

Document Number: 159 Full Record
Main Title Structural Basis of the Mutagenicity of Chemicals in Salmonella Typhimurium: The Gene-Tox Data Base.
Author Klopman, G. ; Frierson, M. R. ; Rosenkranz, H. S. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1990
Year Published 1990
Report Number EPA-R-812264; EPA/600/J-90/084;
Stock Number PB90-245424
Additional Subjects Salmonella typhimurium ; Toxicity ; Tables(Data) ; Molecular structure ; Reprints ; Mutagenicity tests ; Toxic substances ; Gene-Tox data base ; CASE computer program ; Carcinogenicity tests ; Structure-activity relationship
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NTIS  PB90-245424 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 52p

Document Number: 160 Full Record
Main Title Structural Characterization of Reactive Dyes Using Liquid Secondary Ion Mass Spectrometry/Tandem Mass Spectrometry.
Author Richardson, S. D. ; Thruston, A. D. ; McGuire, J. M. ; Weber, E. J. ;
CORP Author Environmental Protection Agency, Athens, GA.
Publisher May 93
Year Published 1993
Report Number EPA/600/J-93/423;
Stock Number PB94-101748
Additional Subjects Water pollution detection ; Reactive dyes ; Molecular structure ; Textile processes ; Mass spectroscopy ; Waste water ; Ions ; Sulfur oxides ; Chemical bonds ; Chemical analysis ; Reprints ; Reactive Blue 19 ; Chemical reaction mechanisms ; Liquid secondary ion mass spectrometry ; Tandem mass spectrometry ; Sulfone/vinyl
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NTIS  PB94-101748 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 9p

Document Number: 161 Full Record
Main Title Structural Characterization of Sulfonated Azo Dyes Using Liquid Secondary Ion Mass Spectrometry/Tandem Mass Spectrometry.
Author Richardson, S. D. ; MiGuire, J. M. ; Thruston, A. D. ; Baughman, G. L. ;
CORP Author Environmental Research Lab., Athens, GA.
Publisher c1992
Year Published 1992
Report Number EPA/600/J-92/179;
Stock Number PB92-188861
Additional Subjects Azo dyes ; Mass spectroscopy ; Water quality ; Molecular structure ; Toxic substances ; Reprints ;
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NTIS  PB92-188861 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 13p

Document Number: 162 Full Record
Main Title Structural Influences and Mechanisms of Toxic Effects of Alcohols and Their Derivatives.
Author Kier, L. B. ; Hall, L. H. ;
CORP Author Virginia Commonwealth Univ., Richmond.;Environmental Research Lab.-Duluth, MN.
Year Published 1982
Report Number EPA-R-808923; EPA-600/J-82-399;
Stock Number PB84-116367
Additional Subjects Alcohols ; Molecular structure ; Toxicity ; Behavior ; Animals ; Reprints ; Toxic substances
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NTIS  PB84-116367 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 7p

Document Number: 163 Full Record
Main Title Structure and reactivity of adsorbed oxides of sulfur /
Author Lunsford., Jack H.
CORP Author United States. Environmental Protection Agency. Office of Research and Development.
Publisher United States Environmental Protection Agency Office of Research and Development,
Year Published 1974
Report Number EPA-650/3-74-006; EPA-801136; EPA-ROAP-21AJX
Stock Number PB-245 046
OCLC Number 21388441
Subjects Sulfur compounds ; Sulphur compounds
Additional Subjects Sulfur oxide ; Chemisorption ; Adsorption ; Surface chemistry ; Magnesium oxides ; Sulfur dioxide ; Molecular structure ; Free radicals ; Ions ; Infrared spectra ; Sulfates ; Sulfites ; Electron paramagnetic resonance ; Chemical bonds ; Metal oxides ; Chemical reactivity
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=20015TB5.PDF
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EJBD  EPA 650-3-74-006 c.1 Headquarters Library/Washington,DC 05/17/2013
ELBD ARCHIVE EPA 650-3-74-006 Received from HQ AWBERC Library/Cincinnati,OH 10/04/2023
ELBD RPS EPA 650-3-74-006 repository copy AWBERC Library/Cincinnati,OH 11/17/2014
NTIS  PB-245 046 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 80 pages ; 28 cm

Document Number: 164 Full Record
Main Title Structure correlation /
Other Authors
Author Title of a Work
Dunitz, Jack D.
Bèurgi, Hans-Beat.
Publisher Cambridge : VCH,
Year Published 1994
OCLC Number 33334143
ISBN 1560817526; 9781560817529; 3527290427 (Germany); 9783527290420 (Germany)
Subjects Chemical structure ; Molecular structure ; Chemistry, Analytic--Technique ; Linear free energy relationship ; Structure molâeculaire ; Cristallographie ; Composâes de coordination ; Ligands ; Kristalstructuur ; Structuur-activiteit-relatie
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EKDM  QD461.S935 v. 1-2 CEMM/EPD Library/Athens,GA 10/29/2012 STATUS
Collation 2 v. ( (xxvii, 888 p.) ) : ill. ; 25 cm.

Document Number: 165 Full Record
Main Title Structure reactivity correlations for environmental reactions /
Author Mill, Theodore.
Other Authors
Author Title of a Work
Leifer, Asa.
Darr, James.
McCaleb, Kirtland.
CORP Author SRI International, Menlo Park, CA.;Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Publisher Office of Technical Evaluation, Office of Toxic Substances, U.S. Environmental Protection Agency,
Year Published 1979
Report Number PB80-110323; EPA-560/11-79-012; 68-01-41-09; EPA-68-01-4109
Stock Number PB80-110323
OCLC Number 32040016
Subjects Molecular structure
Additional Subjects Air pollution ; Water pollution ; Reaction kinetics ; Transport properties ; Chemical equilibrium ; pH ; Oxidizers ; Hydrolysis ; Photochemistry ; Sorption ; Vaporizing ; Soils ; Atmospheric motion ; Chemical reactions ; Path of pollutants ; Atmospheric chemistry ; Structure reactivity correlations ; Linear free energy relationships
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=9100BDJ3.PDF
Local Library Info
Library Local Subject Local Note
EJE Toxic Substances Control Act (TSCA)--Testing--Statistical methods ; Structure reactivity correlations (SRC) ; Environmental fate processes ; Quantitative predictions of reactivity
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EJED  EPA-560/11-79-012 OCSPP Chemical Library/Washington,DC 03/03/1995
ELBD ARCHIVE EPA 560-11-79-012 Received from HQ AWBERC Library/Cincinnati,OH 10/04/2023
NTIS  PB80-110323 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation x, 58 pages : illustrations ; 28 cm

Document Number: 166 Full Record
Main Title Structure-Activity Correlations in Studies of Toxicity and Bioconcentration with Aquatic Organisms.
Author Veith, Gilman D. ; Konasewich., Dennis E. ;
CORP Author International Joint Commission-United States and Canada, Windsor (Ontario). Standing Committee on the Scientific Basis for Water Quality Criteria.
Year Published 1975
Stock Number PB-275 670
Additional Subjects Meetings ; Toxicity ; Molecular structure ; Ecology ; Distribution ; Exposure ; Mathematical models ; Fishes ; Pesticides ; Toxicology ; Surfactants ; Daphnia ; Accumulation ; DDT ; Aquatic biology ; Phenol ; Organic compounds ; Chemical properties ; Toxic substances ; Bioaccumulation ; Analytical methods ; Water pollution effects(Animals)
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NTIS  PB-275 670 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 329p

Document Number: 167 Full Record
Main Title Structure-Activity Relationships and Pharmacokinetics: A Comparative Study of Hydrophobicity, Van der Waals' Volume and Topological Parameters.
Author Basak, S. C. ; Gieschen, D. P. ; Magnuson, V. R. ; Harriss, D. K. ;
CORP Author Minnesota Univ.-Duluth.;Environmental Research Lab.-Duluth, MN.
Year Published 1982
Report Number EPA-R-807566; EPA-600/J-82-393;
Stock Number PB84-110642
Additional Subjects Molecular structure ; Van der Waals equation ; Topology ; Pharmacology ; Drugs ; Transport properties ; Metabolism ; Anesthesia ; Reprints ; Pharmacokinetics ; Hydrophobicity ; Numerical solution
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NTIS  PB84-110642 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 5p

Document Number: 168 Full Record
Main Title Structure-Activity Relationships for Screening Organic Chemicals for Potential Ecotoxicity Effects.
Author Veith, G. D. ; De Foe, D. ; Knuth, M. ;
CORP Author Environmental Research Lab.-Duluth, MN.
Year Published 1985
Report Number EPA/600/J-85/224;
Stock Number PB86-118692
Additional Subjects Environmental effects ; Ecology ; Toxicity ; Organic compounds ; Molecular structure ; Industrial wastes ; Esters ; Assessments ; Octanol ; Water ; Partitions(Mathematics) ; Fishes ; Reprints ; Bioaccumulation ; Ecological concentration ; Numerical solution ; Water pollution effects(Animals)
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NTIS  PB86-118692 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 11p

Document Number: 169 Full Record
Main Title Structure-Reactivity Relationships for Predicting Environmentally Hazardous Chemicals.
Author Cohen, N. ;
CORP Author University of Southern California, Los Angeles. ;Aerospace Corp., El Segundo, CA. Aerophysics Lab.;Environmental Protection Agency, Research Triangle Park, NC. Atmospheric Sciences Research Lab.
Year Published 1986
Report Number EPA-R-810705; EPA/600/3-86/072;
Stock Number PB87-140497
Additional Subjects Chemical reactivity ; Molecular structure ; Hazardous materials ; Entropy ; Haloalkanes ; Heat of activation ;
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NTIS  PB87-140497 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 50p

Document Number: 170 Full Record
Main Title Structure-Reactivity Relationships in Dehydrohalogenation Reactions of Polychlorinated and Polybrominated Alkanes.
Author Roberts, A. L. ; Jeffers, P. M. ; Wolfe, N. L. ; Gschwend, P. M. ;
CORP Author Environmental Research Lab., Athens, GA. ;Massachusetts Inst. of Tech., Cambridge. ;State Univ. of New York Coll. at Cortland.;National Inst. of Environmental Health Sciences, Research Triangle Park, NC.
Publisher c1993
Year Published 1993
Report Number EPA/600/J-93/284; NIEHS-2-P30-ESO-2109-11;
Stock Number PB93-222750
Additional Subjects Environmental effects ; Dehydrohalogenation ; Haloalkanes ; Polymers ; Structure-activity relationships ; Bromoalkanes ; Chloroalkanes ; Path of pollutants ; Molecular structure ; Chemical reactions ; Substitution reactions ; Reviews ; Land pollution ; Water pollution ; Chemical reaction mechanisms
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NTIS  PB93-222750 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 41p

Document Number: 171 Full Record
Main Title Structure-Toxicity Relationships for alpha, beta-Unsaturated Alcohols in Fish.
Author Mckenyan, O. M. ; Veith, G. D. ; Bradbury, S. P. ; Russom., C. L. ;
CORP Author Environmental Research Lab.-Duluth, MN. ;Wisconsin Univ.-Superior. Lake Superior Research Inst.
Publisher c1993
Year Published 1993
Report Number EPA/600/J-94/187;
Stock Number PB94-163664
Additional Subjects Fishes ; Toxicity tests ; Chemical reactions ; Biochemistry ; Alcohols ; Unsaturated hydrocarbons ; Metabolism ; Molecular structure ; In vivo analysis ; In vitro analysis ; Carbonyl ; Acetylene ; Response ; Animal behavior ; Toxic tolerances ; Reprint ; Pimephales promelas ; Proparglic alcohols ; Fathead minnows ; Electrophiles
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NTIS  PB94-163664 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 6p

Document Number: 172 Full Record
Main Title Structure-Toxicity Relationships of Selected Nitrogenous Heterocyclic Compounds. 3. Relations Using Molecular Connectivity.
Author Schultz, T. W. ; Kier, L. B. ; Hall, L. H. ;
CORP Author Oak Ridge National Lab., TN.;Environmental Research Lab.-Duluth, MN.
Year Published 1982
Report Number EPA-R-808923; EPA-600/J-92-398;
Stock Number PB84-116680
Additional Subjects Molecular structure ; Toxicity ; Nitrogen heterocyclic compounds ; Environmental surveys ; Ecology ; Physiocochemical properties ; Reprints ; Molecular connectivity ; Toxic substances
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NTIS  PB84-116680 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 9p

Document Number: 173 Full Record
Main Title Structures and Environmental Significance of Heptachlor Epoxide Isomers.
Author Donnelly, J. R. ; Sovocool, G. W. ; Titus, R. L. ;
CORP Author Lockheed Environmental Systems and Technologies Co., Las Vegas, NV. ;Nevada Univ., Las Vegas. Dept. of Chemistry.;Environmental Monitoring Systems Lab., Las Vegas, NV.
Publisher c1993
Year Published 1993
Report Number EPA-68-CO-0049; EPA/600/J-94/426;
Stock Number PB95-122685
Additional Subjects Environmental monitoring ; Heptachlor ; Epoxy compounds ; Chlordane ; Insecticides ; Molecular structure ; Gas chromatography ; Mass spectroscopy ; Nuclear magnetic resonance ; Research and development ; Soil chemistry ; Isomers ; Reprints ;
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NTIS  PB95-122685 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 8p

Document Number: 174 Full Record
Main Title Studies of Relationships between Molecular Structure and Biological Activity by Pattern Recognition Methods.
Author Jurs, P. C. ;
CORP Author Pennsylvania State Univ., University Park.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1983
Report Number EPA-R-811037; EPA/600/D-86/096;
Stock Number PB86-194412
Additional Subjects Toxicity ; Organic compounds ; Pattern recognition ; Molecular structure ; Biopharmaceutics ; Mutagenicity tests ; Carcinogens
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NTIS  PB86-194412 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 21p

Document Number: 175 Full Record
Main Title Study of System Requirements for Implementing a Chemical Substances Information Network.
CORP Author Sigma Data Computing Corp., Rockville, Md. ;Environmental Protection Agency, Washington, D.C. ;National Library of Medicine, Bethesda, Md.;Council on Environmental Quality, Washington, D.C.
Year Published 1977
Report Number CS-101; EQ4AC003;
Stock Number PB-284 030
Additional Subjects Chemical compounds ; Information systems ; Environmental surveys ; Systems analysis ; Data bases ; Molecular structure ; Specifications ; Software ; Hardware ; Confidentiality ; Cost analysis ; Substitutes ; Manpower ; Security ; National government ; Toxic substances ; Environmental Protection Agency ; Nomenclature ; Computer privacy
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NTIS  PB-284 030 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 211p

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