QSAR Quantitative structure-activity relationships (Qsar represent an attempt to correlate structural or property descriptors of compounds with activitⅰeS These physicochemical descriptors, which include parameters to account for hydrophobicity topology electronic properties, and steric effects, are determined empirically or, more recently by computational methodsQSAR • Quantitative structure-activity relationships (QSAR) represent an attempt to correlate structural or property descriptors of compounds with activities. • These physicochemical descriptors, which include parameters to account for hydrophobicity, topology, electronic properties, and steric effects, are determined empirically or, more recently, by computationalmethods