In the present study, the Quantitative Structure-Property Relationship (QSPR) method has been used to investigate the effects of different hydrogen bond donor (HBD) structures on the thiophene distribution ($\beta$₂) between choline chloride (ChCl) based deep eutectic solvent (DES) and hydrocarbon phases in the ternary systems. The effect of HBD structures was examined for ternary systems containing different hydrocarbons in different temperatures and different ChCl as hydrogen bond acceptor (HBA) to HBD molar ratios. Twelve different datasets with 504 data points were chosen from the literature for model development. The selected data covers {([ChCl/x.HBD]–thiophene–different hydrocarbon solvents): x = 5, and 7, Temperature = 298.15 K , 308.15 K}. It was found that $\beta$₂ was influenced by the “IC1” and “CIC1” descriptors of HBD, belonging to the topological descriptors. According to the values of the statistical parameters, the kind of HBD molecular structures can affect $\beta$₂ noticeably. It was also found that increasing and decreasing the values of the IC1 and CIC1 descriptors of HBD lead to an increase in $\beta$₂, respectively. It should be noted that IC1 and CIC1 are based on the concept of the neighborhood of the chemical graph in which the atoms and situation of edges are assumed. The selected molecular descriptors specifically indicate the degree of structural symmetry in the molecular graph.

在本研究中，定量结构-性能关系 (QSPR) 方法已用于研究不同氢键供体 (HBD) 结构对噻吩分布的影响。$\beta$₂ ) 三元体系中基于氯化胆碱 (ChCl) 的深共熔溶剂 (DES) 和烃相之间的关系。研究了 HBD 结构对在不同温度下含有不同碳氢化合物和不同 ChCl 作为氢键受体 (HBA) 与 HBD 摩尔比的三元系统的影响。从文献中选择了具有 504 个数据点的 12 个不同数据集用于模型开发。所选数据涵盖 {([ChCl/x.HBD]-噻吩-不同的烃溶剂): x = 5, 和 7, 温度 = 298.15 K, 308.15 K}。结果发现$\beta$₂受 HBD 的“IC1”和“CIC1”描述符的影响，属于拓扑描述符。根据统计参数的值，HBD 分子结构的种类会影响$\beta$₂明显。还发现增加和减少 HBD 的 IC1 和 CIC1 描述符的值会导致增加$\beta$₂、分别。需要注意的是，IC1和CIC1是基于化学图的邻域概念，其中假设原子和边的情况。选定的分子描述符专门指示分子图中结构对称的程度。