Compendium of Energetic Materials Data

A collection of names, elemental formulas, SMILES strings, and CAS numbers for openly published energetic molecules. More entries and types of data may be added to this compendium in future versions. We provide this data so that it may be used for research and cited (with zenodo URL and DOI) in papers.

搜集汇总

背景与挑战

背景概述

该数据集是一个公开的含能分子数据集合，主要包含名称、元素式、SMILES字符串和CAS号等关键信息，旨在支持研究并在学术论文中引用。它具有扩展性，未来版本计划添加更多条目和数据类型。