Dataset for Predicting Surfactant Oil–Water Interfacial Tension Using Gated Message Passing Graph Neural Networks

This dataset contains 2,184 processed and curated data points for surfactant oil–water interfacial tension (IFT). The raw experimental records were reported in heterogeneous formats, units, and chemical nomenclatures across diverse sources, making them unsuitable for direct computational modeling without systematic standardization. To ensure usability, the data were harmonized into a structured format, including canonical SMILES strings, unified salinity units, and consistent physical parameters.本数据集收录了2184条经过处理与审核规整的表面活性剂油水界面张力（interfacial tension, IFT）相关数据点。原始实验记录来自不同数据源，其格式、计量单位及化学命名规则均不统一，若不经过系统性标准化处理，无法直接用于计算建模。为确保数据可用性，所有数据被统一整理为结构化格式，其中包含标准化SMILES字符串、统一的盐度单位以及一致的物理参数。