QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method
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چکیده
منابع مشابه
QSPR models to predict thermodynamic properties of some mono and polycyclic aromatic hydrocarbons (PAHs) using GA-MLR
Quantitative Structure-Property Relationship (QSPR) models for modeling and predicting thermodynamic properties such as the enthalpy of vaporization at standard condition (ΔH˚vap kJ mol-1) and normal temperature of boiling points (T˚bp K) of 57 mono and Polycyclic Aromatic Hydrocarbons (PAHs) have been investigated. The PAHs were randomly separated into 2 groups: training and test sets. A set o...
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ژورنال
عنوان ژورنال: Current Computer-Aided Drug Design
سال: 2020
ISSN: 1573-4099
DOI: 10.2174/1573409915666190227230744