QSAR analysis of indolealkylamine receptor binding using Szeged index

The newly introduced Szeged index (Sz) for a series of indolealkylamines has been calculated and correlated with the receptor binding potency (log K i ). The analyses have shown that univariate correlation split into two categories, providing statistically significant QSAR models. When subjected to multiple regression analysis, the data gave excellent results wherein no splitting was needed. The results obtained using the Sz index are compared critically with those obtained from the Wiener index (W), showing that Sz gives slightly better results than W.