Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches

Name: Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches
Creator: Materials Data Facility
Published: 2022-12-15T20:46:37+08:00

DataCite Commons2024-02-26 更新2025-04-15 收录

有机光电材料性质预测

化学机器学习

数据链接：

https://www.materialsdatafacility.org/detail/ocelot_chromophore_v1_v1.1 数据链接链接失效反馈

官方服务：

资源简介：

The dataset of organic pi-conjugated molecules chromophore descriptors for electronic, optical, and redox properties computed with DFT. The dataset is a part of the [OCELOT database](https://oscar.as.uky.edu).

提供机构：

Materials Data Facility

创建时间：

2022-12-15