[QSAR and aromatic series: proposals for steric parameters].
A steric parameter, sigma D (the perimeter of the efficacious section of a molecule in the same plane as the aromatic ring) is proposed. A comparison between sigma D, RM and 1Xv in six different series of aromatic molecules was made. In most cases the new parameter is preferable.
D000818:Animals; D001234:Aspergillus niger / Q000187:drug effects; D001592:Benzyl Alcohols / Q000494:pharmacology; D008099:Liver / Q000378:metabolism; D008968:Molecular Conformation; D010636:Phenols / Q000494:pharmacology; D010766:Phosphorylation; D051381:Rats; D013329:Structure-Activity Relationship; D014700:Verapamil / Q000031:analogs & derivatives / Q000494:pharmacology
D001592:Benzyl Alcohols; D010636:Phenols; D014700:Verapamil
QSAR et séries aromatiques: propositions de paramètres stériques.