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.

本数据库收录了氢键受体（hydrogen bond acceptor, HBA）与手性氢键供体（chiral hydrogen bond donor, HBD）的混合体系，用于筛选潜在的低共熔溶剂（deep eutectic solvent, DES）。将HBA与HBD按摩尔配比混合后，加热至55℃并保温约2小时，随后将混合物冷却至20℃。数据库中记录的实验结果分为三类：“是”表示形成液态体系，“否”表示为固态体系，“部分”则指体系大部分呈液态但残留少量固体。所有录入的HBA与HBD均标注有化学名称及异构体SMILES。本次上传的最新版本（编号32824）与前一版本（编号72423）内容一致，仅在第二标签页新增了搜索功能。若需获取该数据库的CSV格式版本，请使用文件Chiral DES Database-72423.csv。

搜集汇总

背景与挑战

背景概述

该数据集是一个记录氢键受体与手性氢键供体混合物状态的数据库，用于深共熔溶剂筛选，包含化学名称和SMILES标识，最新版本增加了搜索功能。