Additional file 2: of PubChem atom environments
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PubChem Compound augmented atoms. This file contains all â augmented atomsâ generated from PubChem Compound for the purpose of comparison to the fragmentation studies of Adamson et al. performed on CASRS in 1971 [46]. Each line describes an augmented atom as SMARTS string and its respective incidence, tab-separated. File is sorted by descending incidence.
创建时间：
2017-02-21
