The comparison of automated clustering algorithms for...

Journal of Cheminformatics 2017 / 12 Vol. 9; Iss. 1

The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

Kim, Hyoungrae, Jang, Cheongyun, Yadav, Dharmendra K., Kim, Mi-hyun
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Volume:
9
Language:
english
Journal:
Journal of Cheminformatics
DOI:
10.1186/s13321-017-0208-0
Date:
December, 2017
File:
PDF, 4.83 MB
english, 2017
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