Table 1 Dataset sources list in the database.
From: SOMAS: a platform for data-driven material discovery in redox flow battery development
Database | Final size | Compound Representation | Average molecular weight |
|---|---|---|---|
1 | 1,068 | Name, partial CASRN, SMILES | 167.09 |
2 | 2,122 | Name, partial CASRN, | 216.23 |
3 | 149 | Name, CASRN, | 185.27 |
4 | 2,791 | Partial Name, SMILES, partial CASRN | 257.19 |
5 | 1,743 | Name, CASRN | 248.66 |
6 | 3,823 | Name, InChIKey | 266.28 |