Unique Identifiers for Small Molecules Enable Rigorous Labeling of Their Atoms

Dashti, Hesam; Westler, William M.; Markley, John L.; Eghbalnia, Hamid R.
Sci Data 4 (1) 170073 (2017).
Science Published: (Dec/2017)
DOI: https://doi.org/10.1038/sdata.2017.73
Abstract: