Skip to main content
. 2022 Dec 1;9:740. doi: 10.1038/s41597-022-01814-4

Table 1.

Dataset sources list in the database.

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