Quantitative structure-selectivity relationships: selective drug design.
The concept of complex selectivity (Scn) permits the investigation of quantitative structure--selectivity relationships in the presence of n side effects; Scn permits differentiation of the most selective molecules rather than the most active ones in a congener series. Selectivity quantification in the presence of n side effects facilitates molecular comparisons. The information provided by Scn and its changes with increasing n is discussed. The proposed mathematical model is applied to the study of the selectivity of some antibiotics and antibacterial agents.
D002626:Chemistry, Pharmaceutical; D002733:Chlorophenols / Q000138:chemical synthesis; D008956:Models, Chemical; D010406:Penicillins / Q000138:chemical synthesis; D004364:Pharmaceutical Preparations / Q000138:chemical synthesis; D013329:Structure-Activity Relationship
D002733:Chlorophenols; D010406:Penicillins; D004364:Pharmaceutical Preparations