Predicting biological effect as a function of the chemical structure and the primary physical and chemical properties of organic compounds.
The dependence of biological parameters on chemical structure was studied for a series of compounds with similar chemical structures. Computational formulas were developed on the basis of correlation and regression analysis. These formulas make it possible to predict the biological effect thresholds for a great number of organic compounds on the basis of their primary physical and chemical properties.
D000814:Aniline Compounds / Q000494:pharmacology; D001555:Benzene Derivatives / Q000494:pharmacology*; D055598:Chemical Phenomena; D002621:Chemistry; D002627:Chemistry, Physical; D002713:Chlorine; D004569:Electroencephalography; D008745:Methylation; D008970:Molecular Weight; D009574:Nitro Compounds / Q000494:pharmacology; D009812:Odorants; D012018:Reflex / Q000187:drug effects; D013329:Structure-Activity Relationship; D014835:Volatilization
D000814:Aniline Compounds; D001555:Benzene Derivatives; D009574:Nitro Compounds; D002713:Chlorine