遇见数据集

829 drug-like molecules intrinsic solubility dataset

收藏
Zenodo2020-08-30 更新2026-05-25 收录
数据链接:
官方服务:

资源简介:

Data collection, curation as well as feature calculation are described in 10.26434/chemrxiv.12746948 Please cite the paper if you intend to use the data. descriptors.csv - File with SMILES index and descriptor data fingerprints.csv - File with SMILES index and fingerprints solubility_data.csv - File with SMILES index, splitting indices and target: logS<sub>0</sub>

提供机构:
Zenodo
创建时间:
2020-07-31
二维码
社区交流群
二维码
科研交流群
商业服务