The sections in this article are
Introduction
Mechanisms of Chemical Carcinogenesis and Structure–Activity Relationship (
SAR
)
General Molecular Parameters Affecting the Carcinogenic and Mutagenic Potential of Chemicals
Physicochemical Properties
Molecular Weight
Molecular Size and Shape
Solubility
Volatility
Nature and Position of Substituents
Molecular Flexibility, Polyfunctionality, and Spacing/Distance Between Reactive Groups
Resonance Stabilization of the Electrophilic Metabolites
Specific Structural Criteria of Different Classes of Chemical Carcinogens and Mutagens
Aromatic Amines and Azo Dyes/Pigments
Polycyclic Aromatic Hydrocarbons (
PAHs
)
N
‐Nitrosamines
Hydrazo, Aliphatic Azo and Azoxy Compounds, and Arydialkyltriazenes
Organophosphorus Compounds
Carbamates
Epoxides and Aziridines
Lactones and Sultones
Alkyl Esters of Moderately Strong and Strong Acids
Haloalkanes and Substituted Haloalkanes
N
‐Mustards and
S
‐Mustards
N
‐Nitrosamides
Aldehydes and Substituted Aldehydes
Michael Addition Acceptors
Arylating Agents
Acylating Agents and Isocyanates
Organic Peroxides
Quinones and Quinoid Compounds
Molecular Design of Chemicals of Low Carcinogenic and Mutagenic Potential
General Approaches
Specific Approaches
Aromatic Amines and Azo Dyes/Pigments
Polycyclic Aromatic Hydrocarbons (
PAHs
)
N
‐Nitrosamines
Hydrazo, Aliphatic Azo and Azoxy Compounds, and Arydialkyltriazenes
Organophosphorus Compounds
Carbamates
Epoxides and Aziridines (Ethylenimines)
Lactones and Sultones
Alkyl Esters of Moderately Strong and Strong Acids
Haloalkanes and Substituted Haloalkanes
N
‐Mustards and
S
‐Mustards
N
‐Nitrosamides
Aldehydes and Substituted Aldehydes
Michael Addition Acceptors
Arylating Agents
Acylating Agents and Isocyanates
Organic Peroxides
Quinones and Quinoid Compounds
Conclusion
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