Toward a global maximization of the molecular similarity function: Superposition of two molecules

Journal of Computational Chemistry

Volumn 18, Issue 6, 1997, Pages 826-846

  Constans, Pere ^a   Amat, Lluís ^a   Carbó Dorca, Ramon ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

Atomic shell approximation (ASA); Global maximization; Molecular alignments; Molecular quantum similarity measures (MQSM)

Indexed keywords

EID: 3743088506     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19970430)18:6<826::AID-JCC8>3.0.CO;2-U     Document Type: Article

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