مشخصات پژوهش

عنوان	Prediction of melting and boiling points of fatty acids and their derivatives using QSPR method
نوع پژوهش	پایان نامه
کلیدواژه‌ها	Melting point, Boiling point, Fatty acids, QSPR, QSAR
چکیده	The purpose of this proposal is to offer a model for the quantitative structure-property relationship (QSPR) methodology to predict the melting and boiling temperatures of fatty acids. This method uses a mathematical model to quantitatively relate the molecular structure characteristics of compounds to their molecular properties. Scientists can develop computational models that precisely anticipate how changes to a compound's molecular structure will impact its chemical and physical properties through quantitative structure-property relationship investigations. Once built, a QSPR model can be used to predict the physicochemical properties of molecules that have not yet been investigated. To eliminate potentially dangerous virtual compounds before they are ever created, QSPR models can be used. To be more precise, the development of new compounds with enhanced properties will be aided by QSPR models based on molecular descriptors. QSPR may reduce the time and resources frequently devoted to research tasks like synthesis and experimentation. The originality of the current research is demonstrated by the fact that this method has never been utilized to forecast the melting and boiling temperatures of fatty acids after reviewing the literature
پژوهشگران	زهرا پهلوان یلی (استاد مشاور)، محمد جواد چایچی (استاد راهنما)، محمد حسین فاطمی (استاد راهنما)، منار عامر جبر الجریاوی (دانشجو)