Quantitative structure-activity relationships. IV. Use of molecular negentropy as structural parameter.
Molecular negentropy, the measure of information content in a molecule, was found to be a useful parameter for quantitation of the structures of molecules eliciting some non-specific biological response. Quantitative correlations were obtained between negentropy of a variety of molecules and their 1. toxic effects on the Madison 517 fungus, 2. narcotic action on arenicola larvae, 3. inhibiting activity on tortoise heart and 4. narcotic effect of frog heart.
D000818:Animals; D000935:Antifungal Agents; D001001:Anura; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D006321:Heart / Q000187:drug effects; D066298:In Vitro Techniques; D008956:Models, Chemical; D008968:Molecular Conformation; D009294:Narcotics; D011077:Polychaeta; D013329:Structure-Activity Relationship; D014426:Turtles
D000935:Antifungal Agents; D009294:Narcotics