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.Latest uploaded version (32824) is the same database as the previous version (72423), but has an added search function on a second tab. If you are looking for a CSV version of the database use Chiral DES Database-72423.csv.

本数据库用于筛选潜在的低共熔溶剂（deep eutectic solvent, DES），收录了氢键受体（hydrogen bond acceptors, HBA）与手性氢键供体（chiral hydrogen bond donors, HBD）的混合体系。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℃。数据库中记录了三类实验结果：yes（呈液态）、no（呈固态）以及partial（以液态为主且伴随少量固态）。所有HBA与HBD均通过化学名称及异构SMILES（isomeric SMILES）进行录入。最新上传的版本（32824）与前一版本（72423）的数据库内容完全一致，仅在第二个标签页新增了搜索功能。若需获取该数据库的CSV格式文件，请使用Chiral DES Database-72423.csv。