Structure-activity relationship studies of chemical mutagens and carcinogens: Mechanistic investigations and prediction approaches

Article Abstract:

The applications of the quantitative structure-activity relationships (Q-SAR) has earned special prominence since it permits the exploitation of existing chemical knowledge in understanding the interactions between chemicals and living organisms. The evidence on (SAR) relative to the mutagenic and carcinogenic properties of the chemicals is extremely rich and large number of functional groups is able to elicit toxic effects.

Science & research, Chemical properties

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From molecular connectivity indices to semiempirical connectivity terms: recent trends in graph theoretical descriptors

Article Abstract:

A mathematical interpretation to describe and represent topological aspects of a molecule graphically is presented. The analysis is based on the principle of heuristics derived from the chemical graph theory and includes a scheme involving molecular connectivity indices, their linear combinations, and changeability of the conditions to suit different classes of compounds.

Usage, Mathematical analysis, Molecules, Topology, Heuristic, Heuristics

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Quantitative structure-activity relationships of mutagenic and carcinogenic atomatic amines

Article Abstract:

Chemical carcinogenicity prediction models in terms of toxicity endpoints for a myriad number of mutagenic and carcinogenic chemicals such as aromatic amines present in the environment is presented. The mechanism of action of the carcinogenic compounds as gathered from the support and quantitative Structure-activity relationships models are discussed.

Aromatic amines, Carcinogenicity testing, Toxicological chemistry, Ames test

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