Automated drawing of structural molecular formulas under constraints

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 3, 2004, Pages 1065-1078

  Fricker, Patrick C ^a,c   Gastreich, Marcus ^b   Rarey, Matthias ^c  

^a FRAUNHOFER GESELLSCHAFT   (Germany)

^b BioSolvelT GmbH   (Germany)

^c UNIVERSITY OF HAMBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; AUTOMATION; COMPUTER SOFTWARE; CONSTRAINT THEORY; DATA REDUCTION; DEGREES OF FREEDOM (MECHANICS); GRAPH THEORY; OPTIMIZATION; PROBLEM SOLVING;

AUTOMATED DRAWING; HIGH-THROUGHPUT SCREENING (HTS); STRUCTURAL MOLECULAR FORMULAS; STRUCTURE DIAGRAM GENERATION (SDG);

MOLECULAR STRUCTURE;

EID: 2942724625     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049958u     Document Type: Article

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