Calculations of theoretical indices of carcinogenic activity including the effect of medium.
Relation between the electronic structure of aromatic compounds and their carcinogenic activity has been correlated. Hypotheses of K, L regions have been employed. Possibilities of better theoretical description of carcinogenic activity have been examined by including the effect of medium and by using a more exact quantum--chemical method. Theoretical carcinogenic activity of some compounds so far experimentally not tested has been estimated.
D000818:Animals; D001711:Biotransformation; D002273:Carcinogens / Q000378:metabolism; D002471:Cell Transformation, Neoplastic; D008956:Models, Chemical; D013329:Structure-Activity Relationship
D002273:Carcinogens