Developing structure-activity relationships for N-nitrosamine activity
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Graphical abstract
Abbreviations
AI
acceptable intake
ADME
absorption, distribution, metabolism, and elimination
CPDB
Carcinogenicity Potency Database
COC
cohort of concern
EMA
European Medicines Agency
EWG
electron-withdrawing group
FDA
U.S. Food and Drug Administration
LCDB
Lhasa Carcinogenicity Database
NDEA
N-nitrosodiethylamine
NDIPA
N-nitrosodiisopropylamine
NDMA
N-nitrosodimethylamine
NDSBA
N-nitrosdisecbutylamine
NMEA
N-nitrosomethylethylamine
NMNA
N-nitrosomethylneopentylamine
NMIPA
N-nitrosomethylisopropylamine
NMTBA
N-nitrosomethyltertbutylamine
NPDA
N-nitrosodiphenylamine
SAR
structure activity relationship
TD50
dose that results in a 50% excess in tumor incidence
Keywords
Nitrosamine risk assessment
Nitrosamine structure-activity relationships
Structural features supporting read-across for N-nitrosamines
Nitrosamine mutagenicity and carcinogenicity
Computational toxicology
Regulation of nitrosamine impurities
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© 2021 The Authors. Published by Elsevier B.V.