QS PR Calculation of D ensity of Som Orga nic Comp ounds Use of Mult iple Lin ear Regression (MLR) Method

The standard de nsity of ۵۱ compounds, were dra wn into th e Hyperch em program and optimized using semi-empiric al AM۱ m ethod and predicted using multiple linear regre ssion (MLR). The obta ined multiv ariate linea r five descriptors mod el by MLR has correlation coefficient. All m olecular descriptors wh ich have e ntered in thi s model ar e calculated from chemical structure of any molecule. As a result, application of this model for any compo und is easy and accurate (R۲ = ۰.۹۱۱).

کلیدواژه ها:

QSPR ، Density ، AM۱ method ، MLR.