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Volume-scaled common nearest neighbor clustering algorithm with free-energy hierarchy.
Weiß, R Gregor; Ries, Benjamin; Wang, Shuzhe; Riniker, Sereina.
Affiliation
  • Weiß RG; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
  • Ries B; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
  • Wang S; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
  • Riniker S; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
J Chem Phys ; 154(8): 084106, 2021 Feb 28.
Article in En | MEDLINE | ID: mdl-33639726
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Phys Year: 2021 Document type: Article Affiliation country: Suiza Country of publication: Estados Unidos
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Phys Year: 2021 Document type: Article Affiliation country: Suiza Country of publication: Estados Unidos