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Rapport om Vejledende liste til selvklassificering af farlige
stoffer
1. |
Miljø- og Energiministeriets bekendtgørelse nr. 1065 af 30. november
2000 om klassificering, mærkning, salg og opbevaring af kemiske stoffer og produkter.
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2. |
Einecs (European Inventory of Existing Commercial Chemical Substances).
O.J. C146A, 15.6.1990, p.1.
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3. |
Allanou et al., 1999: Remi Allanou, Bjørn Hansen and Yvonne van der Bilt
(1999): Public Availability of Data on EU High Production Volume Chemicals (EUR 18996 EN).
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4. |
Niemelä, 1992: EU project; Priority Setting for the Purpose of future
Classification and Labelling of Dangerous Substances (Contract No. B91/B4.3044/12200),
Danish Environmental Protection Agency, Copenhagen, November 1992 og Jay Niemelä, 1994,
Miljøstyrelsens arbejdsdokument med opdatering af datagrundlaget i EU-projekt om i
prioriteringsgrundlaget for klassificering og mærkning.
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5. |
Miljø- og Energiministeriets bekendtgørelse nr. 733 af 31. juli 2000 af
listen over farlige stoffer.
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6. |
European Commission: Commission communication 90/C146A/01 pursuant to
Article 13 of Council Directive 67/548/EEC of 27 June 1967 on the approximation of the
laws, regulations and administrative provisions relating to the classification, packaging
and labeling of dangerous substances, as amended by Directive 79/831/EEC
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7. |
Oxford Molecular, Chem-X version July 1998, SMILES to 3-D conversion
module.
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8. |
Niemela, J., "Non-Structural Activity Coefficients for Acute Oral
Toxicity in the Mouse and Rat", Danish EPA, working document, 1992 (available on
request)
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9. |
Niemela, J., "Acute Toxicity versus rout of Administration in
Mice," Danish EPA, working document, 1995 (available on request)
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10. |
Health Designs Inc., "TOPKAT 3.0 QSAR Module Summery, Rat Oral LD50
", v3ld50.d94, Rochester, New York, U.S.A., 1997
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11. |
Niemela, J., "Computer Predictions of LD 50 in the Rat
using TOPKAT v. 5.01, Danish EPA, working document, 1999 (available on request).
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12. |
Hunter, W.J., et. al., "Intercamparison Study on the Determination of
Single Administration Toxicity in Rats," J. ASSOC. AFF. ANAL. CHEM., Vol. 62, no. 4,
1979.
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13. |
Health Designs Inc., "TOPKAT 3.0 QSAR Model Summery, Rat Chronic
LOAL," v3loael.595, Rochester, New York, U.S.A., 1997.
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14. |
Health Designs, Inc., "New Skin Sensitization Model,"
Computational Toxicology News, no. 21, 1998
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15. |
M-CASE; Model A33 Allergic contact dermatitis, July, 1998
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16. |
Niemela, J., "QSARs for the Estimation of Sensitization
Potential," Danish EPA, working document, 1999 (available on request).
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17. |
Howard, P.H., et. al., "Predictive Model for aerobic biodegradability
developed from a file of evaluated biodegradation data," Environ. Toxicol. Chem, 11;
593-603, 1992. (see also BIOWIN Biodegradation Probability Program for Microsoft Windows
3.1, Syracuse Research Corporation, Syracuse, NY, U.S.A., 1994.
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18. |
Pedersen, F., Tyle, H., Niemela, J., Guttman, B., Lander, L., and
Wedebrand, A., 1995, "Environmental Hazard Classification data collection and
interpretation guide for substances to be evaluated for classification as dangerous to the
environment. Appendix 9; Validation of the BIODEG Probability Program." TemaNord
Report 589, 153-156.
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19. |
Niemelä, J., and Wedebye, E.B., "MITIMOD, M-CASE Model for Aerobic
Biodegradation, Danish EPA, internal working document, April, 2000.
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20. |
Meylan, W.M., et. al., "Improved Method for Estimating
Bioconcentration Factor (BCF) from Octanol-Water Partition Coefficient," Third Update
Report, Syracuse Research Corporation, Syracuse, NY, U.S.A. August, 1997.
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21. |
Klopman, Gilles, Saiakov, R., and Rozenkranz, S.,, "Multiple
Computer-Automated Structure Evaluation Study of Aquatic Toxicity II. Fathead
minnow," Environmental Toxicology and Chemistry, Vol. 19, No 2, pp. 441-447.
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22. |
Brooke, L.T., et. al., "Acute Toxicities of Organic Chemicals to
Fathead Minnows (Pimephales promelas," Center for Lake Superior Environmental
Studies, University of Wisconsin Superior, 1988.
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23. |
Hermens, J.L., et. al., "Aquatic Toxicity of Polar Narcotic
Pollutants," University of Utrecht, Utrecht, Netherlands, 1998
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24. |
M-CASE Structural Alerts for DNA Reactivity ("Ashby fragments",
model A2E, July 1998.
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25. |
Health Designs Inc., "TOPKAT 3.0 QSAR Module Summery: Mutagenicity
(Ames), V3mut.d94, New York, U.S.A., 1997
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26. |
Niemela, J., "Computer Prediction of Ames Test Mutagenicity (progress
report, May 1998)," Danish EPA, working document, 1998 (available on request)
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27. |
M-CASE Salmonella (Ames) Mutagenicity, model A2H, data evaluation, July
1999.
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28. |
M-CASE Chromosomal Aberrations, model A61, data evaluation, July 1998
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29. |
M-CASE Mutations in Mouse Lymphoma, model A2F, data evaluation, July 1998.
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30. |
M-CASE Induction of Micronuclei, model A62, data evaluation, July 1998.
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31. |
Zhang, Y.P., et. al., "Development of Methods to Ascertain the
Predictivity and Consistency of SAR Models: Application to the U.S. National Toxicology
Program Rodent Carcinogenicity Bioassays," Quant. Struct-Act. Relat, 16, 290-295,
1997.
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32. |
Health Designs Inc., "TOPKAT 3.0 QSAR Module Summary: Rodent
Carcinogenicity, v3carc.995, NY, U.S.A., 1997.
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33. |
Health Designs Inc., "Computational Toxicology News, "MTA with
FDA produces new Carcinogenicity QSTRs," no. 21, February 1998.
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34. |
Cunningham, A.R., Klopman, G., Rosenkranz, H.S., "Identification of
structural features and associated mechanisms of action for carcinogens in rats",
Mutation Research, 405; 9-28, 1998.
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35. |
Cunningham, A.R., Rosenkranz, H.S., Zhang, Y.P., Klopman, G.,
"Identification of "genotoxic" and "non-genotoxic" alerts for
cancer in mice: The Carcinogenic potency database," Mutation Research, 398; 1-17,
1998.
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36. |
Gold, L.S., et. al., "The Carcinogenic Potency Database,"
National Institute of Environmental Health Sciences, NIEHS Center, University of
California, Berkeley, 1999
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37. |
M-CASE, Binding to Aryl Hydrocarbon Hydroxylase, Model A68, July 1998.
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38. |
Klopman, G., "MULTICASE 1. A Hierarchical Computer Automated
Structure Evaluation Program," Quant. Struct.-Act. Relat., 11; 176-184, 1992.
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39. |
Oxford Molecular Group, Inc., Health Designs, Inc., Computational
Toxicology, "TOPKAT 5.0 Reference Manual," 1997.
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40. |
Mathews, E.J., Contrera, J.F., "A New Highly Specific Method for
Predicting the Carcinogenic Potential of Pharmaceuticals in Rodents Using Enhanced MCASE
QSAR-ES Software", Reg.Tox. and Pharm., 28; 242-264, 1998.
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41. |
European Commission, "Technical Guidance Document in Support of
commission directive 93/67EEC on Risk Assessment for New Notified Substances and
Commission Regulation (EC) No. 1488/94 on Risk Assessment for Existing Substances,"
Part III, ISBN 92-827-8013-9, 1996, p. 554.
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42. |
Klopman, G., Saiakov, R, Rosenkranz, HS, Hermans, JLM, "M-CASE study
of aquatic toxicity, I. Guppy," Envion. Toxicol. Chem. 18: 2497-2505.
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43. |
G. Klopman and O.T. Macina, "Drug Design Based on Artificial
Intelligence," Computer Aided Innovation of New Materials II, Elsevier Science
Publishers, 1992.pp 1135-1140.
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44. |
Mumtaz, M.M., et. Al. "Assessment of effect levels of chemicals from
quantitative structure-activity (QSAR= models. I. Chronic lowest-observed-adverse-effect
(LOAEL)," Toxicology Letters, 79 (1995), 131-143
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45. |
Gomber, V. K., "Quantitative Structure-Activity Relationships in
Toxicology; From Fundamentals to Applications," Health Designs Inc., 183 East Main
Street, Rochester, NY 14604, USA.
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46. |
O. Mekenyan, S. Karabunarliev and D. Bonchev, The OASIS Concept for
Predicting the Biological Activity of Chemical Compounds, J. Math. Chem., 4, 207-215
(1990).
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47. |
O. Mekenyan, S. Karabunarliev and D. Bonchev, The Microcomputer OASIS
System for Predicting the Biological Activity of Chemical Compounds, Comput. & Chem.,
14, 193-200 (1990).
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48. |
Mekenyan, et. al. "COREPA Method Used for Evaluation of Reactivity
Profile for High ER Binding Affinity," Quant. Struct.-Act. Relat., 18:139-153, 1999.
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49. |
Moudgal, C. J., Lipscomb, R. M. Bruce, "Potential health effects of
drinking water disinfection by-products using quantitative structure toxicity
relationships, Toxicology, vol 147, 2000, pp. 109-131.
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50. |
Eriksson, L, Johansson, E., Keteth-Wold, N., and Wold, S.
"Introduction to Multi- and Megavariate Analysis using Projection Methods (PCA &
PLS," Umetrics, Sweden, 1999 pp. 251-260.
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51. |
OECD Environmental Health and Safety Publications Series on Testing and
Assessment, No. 24, "Revised Draft Guidance Document on the use of the Harmonized
System of Classification of Chemicals which are Hazardous for the Aquatic
Environment," Environment Directorate, Organization for Economic Cooperation and
Development, Draft, Oct. 2000 (ENV/JM/HCL (2000) 15/REV2).
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52. |
Registry of Toxic Effects of Chemical Substances (RTECS), The national
Institute of Occupational Safety and Health, Washington, D.C, 1998 (Silver Platter
electronic version).
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53. |
M-CASE, Users Guide, Version 3.30 (Rev. 1.0), Multicase inc., 25825
Science Drive Park, suite 100, Cleveland, OH, 44122.
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54. |
Rosenkranz, H.S., et.al, "Development, Characterization and
Application of Predictive Toxicology Models," SAR and QSAR in Environmental Research,
Vol. 10, pp. 277-298, 1999.
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55. |
Wedebye, E.B., and Niemela, J. R., "Database with QSAR Estimates for
more than 166,000 Chemicals," QSAR 2000, Ninth International Workshop on Quantitative
Structure Activity Relationships in Environmental Sciences, September 16-20 2000, Bourgas,
Bulgaria. Abstracts, PV.2
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56. |
Enslein, Kurt, Health Designs, Inc., 183 E. Main Street, Rochester, NY
14604: "QSTR applications in acute, chronic, and developmental toxicity, and
carcinogenicity.
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57. |
Rådets direktiv 67/548/EØF om tilnærmelse af lovgivning om
klassificering, emballering, og etikettering af farlige stoffer.
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58. |
ECETOC Technical Report No. 67, "The Role of Bioaccumulation in
Environmental Risk Assessment: The Aquatic Environment and Related Food Webs", 1995.
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