Beware of ligand efficiency (LE): Understanding LE data in modeling structure-activity and structure-economy relationships

Journal of Cheminformatics

Volumn 9, Issue 1, 2017, Pages

  Polanski, Jaroslaw ^a   Tkocz, Aleksandra ^a   Kucia, Urszula ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

Avogadro number; Big data; Fragmental metrics; Ligand efficiency; Ligand target binding affinity; Molar metrics; Weight metrics

Indexed keywords

EID: 85029298258     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/s13321-017-0236-9     Document Type: Article

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