Brief Records : EPA National Library Catalog

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Your Search: (SUBJECT=Structure Activity Relationship)

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Document Number: 1 Full Record
Main Title (Q)SARs : evaluation of the commercially available software for human health and environmental endpoints with respect to chemical management applications.
Publisher European Centre for Ecotoxicology and Toxicology of Chemicals,
Year Published 2003
OCLC Number 54089007
Subjects QSAR (Biochemistry) ; Structure-activity relationship ; Computer software ; Toxicity testing--Software
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EJEM  RA1211 .E32 no.89 2003 OCSPP Chemical Library/Washington,DC 04/14/2015
Collation 1 v. ; 30 cm.

Document Number: 2 Full Record
Main Title 3D QSAR in drug design : theory, methods and applications /
Other Authors
Author Title of a Work
Kubinyi, Hugo.
Publisher ESCOM,
Year Published 1993
OCLC Number 29593091
ISBN 9072199146
Subjects Structure-Activity Relationship ; Chemistry, Pharmaceutical ; Drug Design ; Drugs--Structure--Activity relationships ; Drugs--Design ; Drug receptors
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EKBM  RM301.42.A143 1993 Research Triangle Park Library/RTP, NC 03/07/2019
Collation xxviii, 759 p. : ill. (some col.) ; 25 cm.

Document Number: 3 Full Record
Main Title 5-Methylhexanoic Acid Developmental Toxicity Testing.
Author Narotsky., M. G. ;
CORP Author ManTech Environmental Technology, Inc., Research Triangle Park, NC.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher Jan 91
Year Published 1991
Report Number EPA-68-02-4450; EPA/600/1-91/001;
Stock Number PB91-141838
Additional Subjects Toxicity ; Aliphatic acids ; Valproate ; Teratogens ; Rats ; Dose-response relationships ; Females ; Body weight ; Tables(Data) ; Reproduction(Biology) ; Litter size ; Structure-activity relationship ; Parturition ; 5-Methylhexanoic acid
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NTIS  PB91-141838 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 23p

Document Number: 4 Full Record
Main Title Absorption and drug development : solubility, permeability, and charge state /
Author Avdeef, Alex.
Publisher John Wiley & Sons,
Year Published 2012
OCLC Number 759563379
ISBN 9781118057452 (cloth); 1118057457 (cloth)
Subjects Drugs--Metabolism ; Adsorption ; Drug development ; Drugs--Design ; Pharmaceutical Preparations--metabolism ; Administration, Oral ; Cell Membrane Permeability ; Pharmaceutical Preparations--chemistry ; Structure-Activity Relationship
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ELBM  RS420.A935 2012 AWBERC Library/Cincinnati,OH 09/30/2013
Edition 2nd ed.
Collation xli, 698 p. : ill. ; 24 cm.

Document Number: 5 Full Record
Main Title Acute Toxicity and Behavioral Effects of Acrylates and Methacrylates to Juvenile Fathead Minnows (Journal Version).
Author Russom, C. L. ; Drummond, R. A. ; Hoffman, A. D. ;
CORP Author Environmental Research Lab.-Duluth, MN.
Publisher 1988
Year Published 1988
Report Number EPA/600/J-88/229;
Stock Number PB89-134845
Additional Subjects Acrylates ; Minnows ; Toxicity ; Fishes ; Methacrylates ; CNS disorders ; Exposure ; Concentration(Composition) ; Esters ; Reprints ; Pimephales promelas ; Motor activity ; Structure-activity relationship
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NTIS  PB89-134845 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 10p

Document Number: 6 Full Record
Main Title Annual review of biophysics and biomolecular structure.
Publisher Annual Reviews Inc.,
Year Published 1992
OCLC Number 23884496
ISSN 1056-8700
Subjects Biophysics--Periodicals ; Biomolecules--Periodicals ; Molecular structure--Periodicals ; Structure-activity relationships (Biochemistry)--Periodicals ; Macromolecular Substances ; Molecular Biology ; Biofysica ; Biophysics--yearbooks ; Macromolecular Systems--yearbooks ; Molecular Biology--yearbooks ; Molecular Structure--yearbooks ; Structure-Activity Relationship--yearbooks
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EKBM  QH505.A55 1992 v.21 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1993 v.22 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1994 v.23 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1995 v.24 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1996 v.25 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1997 v.26 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1998 v.27 Research Triangle Park Library/RTP, NC 03/26/2024
EKBM  QH505.A55 1999 v.28 Research Triangle Park Library/RTP, NC 03/26/2024
Collation volumes : illustrations, portraits ; 25 cm

Document Number: 7 Full Record
Main Title Artificial Intelligence Approach to the Study of the Structural Moieties Relevant to Drug-Receptor Interactions in Aldose Reductase Inhibitors.
Author Klopman, G. ; Buyukbingol, E. ;
CORP Author Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1988
Year Published 1988
Report Number EPA-R-812264, N00014-84-K-0090; EPA/600/J-88/409;
Stock Number PB90-108861
Additional Subjects Enzyme inhibitors ; Pharmacology ; Tables(Data) ; Reprints ; Computer automated structure evaluation(CASE) ; Aldose reductase ; Structure-activity relationship ; Predictive value of tests ; Drug receptors
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NTIS  PB90-108861 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 13p

Document Number: 8 Full Record
Main Title Biological activity and chemical structure : proceedings of the IUPAC-IUPHAR Symposium held in Noordwijkerhout, The Netherlands, August 30-September 2, 1977
Author Keverling Buisman, Jan Anne.
CORP Author International Union of Pure and Applied Chemistry. Commission on Medicinal Chemistry.; International Union of Pharmacology.
Publisher Elsevier Scientific Pub. Co. ;
Year Published 1977
OCLC Number 03447274
ISBN 0444416595 (v. 2) : $37.00
Additional Subjects Structure-activity relationship (Pharmacology)--Congresses
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ELBM  QP906.S75B56 1977 v.2 AWBERC Library/Cincinnati,OH 01/01/1988

Document Number: 9 Full Record
Main Title Biological correlations--the Hansch approach;
Author Van Valkenburg, Wade.
Other Authors
Author Title of a Work
Van Valkenburg, Wade.
CORP Author American Chemical Society. Division of Pesticide Chemistry.
Publisher American Chemical Society,
Year Published 1972
OCLC Number 00591033
ISBN 0841201560; 9780841201569
Subjects Structure-activity relationships (Biochemistry)--Congresses ; Mathematical models--Congresses ; Models, Theoretical
Additional Subjects Structure-activity relationship (Pharmacology)--Mathematical models--Congresses
Internet Access
Description Access URL
http://pubs.acs.org/doi/book/10.1021/ba-1972-0114
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EJEM  QD1.A355 no. 114 1972 OCSPP Chemical Library/Washington,DC 01/31/2003
EKCM  QD1.A355 no. 114 CEMM/GEMMD Library/Gulf Breeze,FL 01/01/1988 DISPERSAL
Collation viii, 304 pages illustrations 24 cm.

Document Number: 10 Full Record
Main Title CASE (Computer Automated Structure Evaluation) Study of In vitro Inhibition of Spareteine Monooxygenase.
Author Klopman, G. ; Venegas, R. E. ;
CORP Author Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1986
Year Published 1986
Report Number EPA-R-812264; EPA/600/J-86/513;
Stock Number PB90-106394
Additional Subjects Enzyme inhibitors ; In vitro analysis ; Tables(Data) ; Reprints ; Expert systems ; Mixed function oxidases ; Sparteine monooxygenase ; Computer automated structure evaluation(CASE) ; Structure-activity relationship
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NTIS  PB90-106394 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 21p

Document Number: 11 Full Record
Main Title CASE-SAR (Computer Automated Structure Evaluation/Structure-Activity Relationship) Study of Mammalian Hepatic Azoreduction (Journal Version).
Author Nesnow, S. ; Bergman, H. ; Bryant, B. J. ; Helton, S. ; Richard, A. ;
CORP Author Environmental Health Research and Testing, Inc., Research Triangle Park, NC.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1988
Year Published 1988
Report Number EPA-68-02-4456; EPA/600/J-88/189;
Stock Number PB89-118806
Additional Subjects Azo dyes ; Carcinogens ; Toxicology ; Oxidoreductases ; Laboratory animals ; Predictions ; Computer programs ; Reprints ; Structure-activity relationship ; Liver microsomes
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NTIS  PB89-118806 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 16p

Document Number: 12 Full Record
Main Title CASE-SAR Analysis of Polycyclic Aromatic Hydrocarbon Carcinogenicity.
Author Richard, A. M. ; Woo, Y. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. Carcinogenesis and Metabolism Branch. ;Environmental Protection Agency, Washington, DC.
Publisher c1990
Year Published 1990
Report Number EPA/600/J-90/419;
Stock Number PB91-171744
Additional Subjects Carcinogenicity tests ; Aromatic polycyclic hydrocarbons ; Structure-activity relationship ; Information systems ; Computer systems software ; Molecular structure ; Reprints ; CASE
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NTIS  PB91-171744 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 21p

Document Number: 13 Full Record
Main Title CASE: The Computer-Automated Structure Evaluation Method, Correctly Predicts the Low Mutagenicity for Salmonella of Nitrated Cyclopenta-Fused Polycyclic Aromatic Hydrocarbons.
Author Rosenkranz, H. ; Klopman, G. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Cincinnati, OH.
Publisher c1988
Year Published 1988
Report Number EPA-R-812264; EPA/600/J-88/405;
Stock Number PB90-111568
Additional Subjects Mutagens ; Toxicity ; Tables(Data) ; Salmonella typhimurium ; Reprints ; Computer automated structure evaluation(CASE) ; Polynuclear aromatic hydrocarbons ; Structure-activity relationship ; Predictive value of tests
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NTIS  PB90-111568 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 9p

Document Number: 14 Full Record
Main Title CASE: The Computer-Automated Structure Evaluation System, as an Alternative to Extensive Animal Testing.
Author Rosenkranz, H. S. ; Klopman, G. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Cincinnati, OH.
Publisher c1988
Year Published 1988
Report Number EPA-R-812264; EPA/600/J-88/407;
Stock Number PB90-111550
Additional Subjects Toxicology ; Substitutes ; Diagnostic routines ; Reprints ; Computer automated structure evaluation(CASE) ; Carcinogenicity tests ; Animal testing alternatives ; Computer applications ; Structure-activity relationship
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NTIS  PB90-111550 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 10p

Document Number: 15 Full Record
Main Title Chemical structure-biological activity relationships, quantitative approaches
Author Darvas, F.
CORP Author Magyar Farmakologiai Tarsasag.
Publisher Akademiai Kiado,
Year Published 1980
OCLC Number 07205943
ISBN 963052368X
Additional Subjects Structure-activity relationship (Pharmacology)--Congresses
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ELBM  QP906.S75 1980 v.3 AWBERC Library/Cincinnati,OH 01/01/1988

Document Number: 16 Full Record
Main Title Chloroethane carcinogenicity : (CAS No. 75-00-3).
Author Holder, J. W. ; Jinot, J.
CORP Author Environmental Protection Agency, Washington, DC. National Center for Environmental Assessment.
Publisher U.S. Environmental Protection Agency,
Year Published 1998
Report Number NCEA-W-0018; EPA/600/R-95/099
Stock Number PB98-143274
Subjects Methyl chloride--Toxicology ; Carcinogenicity testing ; Chloroethane--Toxicology ; Carcinogencity testing
Additional Subjects Chlorobenzene ; Carcinogenicity tests ; Health effects ; Chlorobenzenes ; Carcinogens ; Health hazards ; Risk assessment ; Dose-respnse relationships ; Inhalation ; Rats ; Mice ; Malignant neoplasms ; Carcinoma ; Keratoachanthoma ; CAS 75-00-3 ; SAR(Structure-Activity Relationship)
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=9100UUH4.PDF
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NTIS  PB98-143274 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 34 pages : illustrations ; 28 cm

Document Number: 17 Full Record
Main Title Comparative Molecular Field Analysis of Polyhalogenated Dibenzo-p-dioxins, Dibenzofurans, and Biphenyls.
Author Waller, C. L. ; McKinney, J. D. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. Environmental Toxicology Div. ;North Carolina Univ. at Chapel Hill. School of Pharmacy.
Publisher cOct 92
Year Published 1992
Report Number EPA/600/J-94/334;
Stock Number PB94-202108
Additional Subjects Toxicity ; Chlorinated aromatic hydrocarbons ; Risk assessment ; Pharmacokinetics ; In vitro analysis ; Molecular structure ; Predictions ; Stereochemistry ; Aryl hydrocarbon receptors ; Enzymes ; Furans ; Dioxin ; Biphenyl ; Models ; Reprints ; QSAR(Quantitative Structure-Activity Relationship) ; Quantitative Structure-Activity Relationship ; PBPK(Physiologically-based pharmacokinetics) ; TCDD(2-3-7-8-Tetrachlorodibenzo-p-dioxin)
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NTIS  PB94-202108 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 10p

Document Number: 18 Full Record
Main Title Computer Analysis of Toxicological Data Bases: Mutagenicity of Aromatic Amines in 'Salmonella' Tester Strains.
Author Klopman, G. ; Frierson, M. R. ; Rosenkranz, H. S. ;
CORP Author Case Western Reserve Univ., Cleveland, OH. School of Medicine.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1985
Year Published 1985
Report Number EPA-R-812264; EPA/600/J-85/549;
Stock Number PB90-106345
Additional Subjects Toxicology ; Salmonella typhimurium ; Amines ; Tables(Data) ; Predictions ; Reprints ; Data bases ; Toxic substances ; Mutagenicity tests ; Structure-activity relationship ; Computer automated structure evaluation(CASE) ; Expert systems
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NTIS  PB90-106345 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 22p

Document Number: 19 Full Record
Main Title Computer Automated Evaluation of Mutagenicity and Carcinogenicity of Selected Polycyclic Aromatic Hydrocarbons.
Author Mitchell, C. S. ; Klopman, G. ; Rosenkranz, H. S. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1989
Year Published 1989
Report Number EPA-R-812264; EPA/600/D-89/141;
Stock Number PB90-113416
Additional Subjects Aromatic polycyclic hydrocarbons ; Salmonella typhimurium ; Reprints ; Mutagenicity tests ; Carcinogenicity tests ; Computer automated structure evaluation(CASE) ; Structure-activity relationship
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NTIS  PB90-113416 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 11p

Document Number: 20 Full Record
Main Title Computer Automated Structure Evaluation (CASE) of Flavonoids as Larval Growth Inhibitors.
Author Klopman, G. ; Venegas, R. E. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1988
Year Published 1988
Report Number EPA-R-812264; EPA/600/J-88/410;
Stock Number PB90-110107
Additional Subjects Growth regulators ; Inhibitors ; Larvae ; Molecular structure ; Reprints ; Computer automated structure evaluation(CASE) ; Heliothis zea ; Flavonoids ; Structure-activity relationship
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NTIS  PB90-110107 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 8p

Document Number: 21 Full Record
Main Title Computer Automated Structure Evaluation (CASE): A Study of Inhibitors of the Thermolysin Enzyme.
Author Klopman, G. ; Bendale, R. D. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1989
Year Published 1989
Report Number EPA-R-812264, N00014-84-K-0090; EPA/600/J-89/115;
Stock Number PB90-108416
Additional Subjects Enzyme inhibitors ; Molecular structure ; Tables(Data) ; Reprints ; Thermolysin ; Expert systems ; Structure-activity relationship ; Peptide fragments ; Computer automated structure evaluation(CASE)
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NTIS  PB90-108416 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 13p

Document Number: 22 Full Record
Main Title Computer Automated Structure Evaluation of Quinolone Antibacterial Agents.
Author Klopman, G. ; Macina, O. T. ; Levinson, M. E. ; Rosenkranz, H. S. ;
CORP Author Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1987
Year Published 1987
Report Number EPA-R-812264; EPA/600/J-87/487;
Stock Number PB90-111618
Additional Subjects Pharmacology ; Tables(Data) ; Reprints ; Anti-infective agents ; Quinolones ; DNA gyrase ; Computer automated structure evaluation(CASE) ; Structure-activity relationship ; Predictive value of tests
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NTIS  PB90-111618 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 12p

Document Number: 23 Full Record
Main Title Computer Automated Structure Evaluation of the Carcinogenicity of N-Nitrosothiazolidine and N-Nitrosothiazolidine 4-Carboxylic Acid.
Author Rosenkranz, H. S. ; Klopman, G. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1987
Year Published 1987
Report Number EPA-R-812264; EPA/600/J-88/406;
Stock Number PB90-111584
Additional Subjects Amines ; Nitroso compounds ; Toxicity ; Reprints ; Computer automated structure evaluation(CASE) ; Carcinogenicity tests ; N-Nitrosothiazolidine ; N-Nitrosothiazolidine-4-carboxylic acid ; Predictive value of tests ; Structure-activity relationship
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NTIS  PB90-111584 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 6p

Document Number: 24 Full Record
Main Title Computer-Assisted Studies of Molecular Structure-Biological Activity Relationships.
Author Jurs, P. C. ; Stouch, T. R. ; Czerwinski, M. ; Narvaez, J. N. ;
CORP Author Pennsylvania State Univ., University Park. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1985
Report Number EPA-R-811037; EPA/600/J-85/387;
Stock Number PB86-200920
Additional Subjects Molecular structure ; Relationships ; Reprints ; Biological activity ; Computer applications ; Structure activity relationship
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NTIS  PB86-200920 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 14p

Document Number: 25 Full Record
Main Title Computer-Automated Sequence Evaluation of Peptides: Application to the Study of Snake Venom Toxicity.
Author Klopman, G. ; Venegas, R. E. ;
CORP Author Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1989
Year Published 1989
Report Number EPA-R-812264, N0014-85-K-0090; EPA/600/D-89/136;
Stock Number PB90-113085
Additional Subjects Toxicity ; Peptides ; Reprints ; Snake venoms ; Amino acid sequence ; Neurotoxins ; Structure-activity relationship ; Computer automated structure evaluation(CASE)
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NTIS  PB90-113085 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 17p

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