Correct bond order assignment in a molecular framework using integer linear programming with application to molecules where only non-hydrogen atom coordinates are available

Journal of Chemical Information and Modeling

Volumn 45, Issue 5, 2005, Pages 1267-1274

  Froeyen, Matheus ^a   Herdewijn, Piet ^a  

^a REGA INSTITUTE FOR MEDICAL RESEARCH   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DATA REDUCTION; HYDROGEN; LINEAR PROGRAMMING;

MOLECULAR FRAMEWORK; STABLE LEWIS STRUCTURE;

INTEGER PROGRAMMING;

HEME; HYDROGEN; LIGAND; PROTEIN;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; METABOLISM; PROTEIN DATABASE;

DATABASES, PROTEIN; HEME; HYDROGEN; LIGANDS; PROTEINS; SOFTWARE;

EID: 26944442757     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci049645z     Document Type: Article

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