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AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule Conformations.

Authors :
Tanemura, Kiyoto Aramis
Das, Susanta
Merz Jr., Kenneth M.
Source :
Journal of Chemical Information & Modeling; 4/26/2021, Vol. 61 Issue 4, p1647-1656, 10p
Publication Year :
2021

Details

Language :
English
ISSN :
15499596
Volume :
61
Issue :
4
Database :
Supplemental Index
Journal :
Journal of Chemical Information & Modeling
Publication Type :
Academic Journal
Accession number :
150043115
Full Text :
https://doi.org/10.1021/acs.jcim.0c01492