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Further evaluation of COMPACT, the molecular orbital approach for the prospective safety evaluation of chemicals
scientific article published on 01 January 1998
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scholarly article
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
title
Further evaluation of COMPACT, the molecular orbital approach for the prospective safety evaluation of chemicals
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
author name string
D F Lewis
series ordinal
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
C Ioannides
series ordinal
2
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
D V Parke
series ordinal
3
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
language of work or name
English
0 references
publication date
1 January 1998
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
published in
Mutation Research
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
volume
412
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
issue
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
page(s)
41-54
1 reference
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Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
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Molecular dimensions of the substrate binding site of cytochrome P-448
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Structural requirements for substrates of cytochromes P-450 and P-448
1 reference
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reference URL
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Prediction of chemical carcinogenicity from molecular and electronic structures: a comparison of MINDO/3 and CNDO/2 molecular orbital methods
1 reference
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Crossref
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7 January 2021
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Molecular orbital studies of oxygen activation and mechanisms of cytochromes P-450-mediated oxidative metabolism of xenobiotics
1 reference
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Metabolic activation of carcinogens and toxic chemicals.
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The cytochromes P450 and mechanisms of chemical carcinogenesis
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The cytochrome P450 I gene family of microsomal hemoproteins and their role in the metabolic activation of chemicals
1 reference
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Induction of cytochrome P4501 as an indicator of potential chemical carcinogenesis
1 reference
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On the significance of the cytochrome P-450-dependent hydroxyl radical-mediated oxygenation mechanism
1 reference
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Role of free radicals and catalytic metal ions in human disease: an overview
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Role of reactive oxygen species in biological processes
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Active Oxygen Species as Factors in Multistage Carcinogenesis
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7 January 2021
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Validation of a novel molecular orbital approach (COMPACT) for the prospective safety evaluation of chemicals, by comparison with rodent carcinogenicity and Salmonella mutagenicity data evaluated by the U.S. NCI/NTP.
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Molecular modelling of CYP2E1 enzymes from rat, mouse and man: an explanation for species differences in butadiene metabolism and potential carcinogenicity, and rationalization of CYP2E substrate specificity
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Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested in rodents by the U.S. NCI/NTP.
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Strategic approaches to drug design. I. An integrated software framework for molecular modelling.
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A retrospective evaluation of COMPACT predictions of the outcome of NTP rodent carcinogenicity testing
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7 January 2021
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Identifiers
DOI
10.1016/S1383-5718(97)00145-9
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
PubMed publication ID
9508363
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9508363
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9508363%20AND%20SRC:MED&resulttype=core&format=json
retrieved
10 November 2019
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