Chiral DES database

This is a database of mixtures of hydrogen bond acceptors (HBA) and chiral hydrogen bond donors (HBD) to screen for potential deep eutectic solvent (DES) formation. Mole ratios of HBA-HBD were mixed and heated to 55 C for ~ 2 hours. The mixtures were then allowed to cool to 20 C. The results are recorded in the database as yes (liquid), no (solid), or partial (mostly liquid with some solid). All HBA and HBDs are entered by chemical name and by isomeric SMILES.

本数据集为用于筛选潜在低共熔溶剂（deep eutectic solvent, DES）形成的氢键受体（hydrogen bond acceptors, HBA）与手性氢键供体（chiral hydrogen bond donors, HBD）的混合体系数据库。将HBA与HBD按摩尔比混合后，加热至55℃并维持约2小时，随后将混合体系冷却至20℃。实验结果以三类形式记录于数据库中：“是（液态）”“否（固态）”以及“部分（大部分为液态，含少量固态）”。所有HBA与HBD均通过化学名称及异构SMILES进行录入。