Optimal neighbor selection in molecular similarity: Comparison of arbitrary versus tailored prediction spaces

SAR and QSAR in Environmental Research

Volumn 17, Issue 1, 2006, Pages 37-51

  Gute, B D ^a   Basak, S C ^a  

^a UNIVERSITY OF MINNESOTA DULUTH   (United States)

Author keywords

Atom pairs; kNN; Quantitative molecular similarity analysis (QMSA); Tailored QMSA; Topological indices

Indexed keywords

NEAREST NEIGHBOR SEARCH; PRINCIPAL COMPONENT ANALYSIS; SOLS; TOPOLOGY;

ATOM PAIR; K-NEAR NEIGHBOR; MOLECULAR SIMILARITY; NEAREST-NEIGHBOUR; QUANTITATIVE MOLECULAR SIMILARITY ANALYSE; SIMILARITY ANALYSIS; TAILORED QUANTITATIVE MOLECULAR SIMILARITY ANALYSE; TOPOLOGICAL INDEX;

REGRESSION ANALYSIS;

EID: 33644746122     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10659360600560933     Document Type: Article

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