Prediction of retentio n index of atmosphe ric volatile organic compoundsdataset using QSPR methods

Volatile organic compounds (VOCs) are organic chemical that have high vapor press ure at ordina ry, room temperature conditions. T heir high vapor pressure results from a low boiling point, which causes large nu mbers of mo lecules to evaporate or sublimate from the liq uid or solid from of the compound and enter the surrounding air. Many VOCs are dangero us to huma n health or cause harm to the environment. Also, VOCs play an important ro le in communication between plan ts [۱].Therefore, it is necessary to measurem ent of VOCs in ambient air. Quantitative structure-property relationship (QS PR) studie s are the most extensively used methods in computation al chemistry. In this study, we used from nonlinear QSPR method of ANN to predict of retention index of some atmospheric volatile organic comp ounds (VOCs).

کلیدواژه ها:

Volatile organic compounds ، QSPR ، SR-ANN ، GA- ANN