Flux (1): A virtual synthesis scheme for fragment-based de novo design

Journal of Chemical Information and Modeling

Volumn 46, Issue 2, 2006, Pages 699-707

  Fechner, Uli ^a   Schneider, Gisbert ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL ENGINEERING; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; STOCHASTIC PROGRAMMING; SYNTHESIS (CHEMICAL);

DE NOVO MOLECULE GENERATION; PSEUDO-RETROSYNTHESIS; STOCHASTIC SEARCH ALGORITHMS; VIRTUAL SYNTHESIS;

MOLECULAR DYNAMICS;

BLOOD CLOTTING FACTOR 10A; LIGAND; PHOSPHOTRANSFERASE; THROMBIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DRUG ANTAGONISM; DRUG DESIGN; GENETICS; MUTATION; VALIDATION STUDY;

ALGORITHMS; DRUG DESIGN; FACTOR XA; LIGANDS; MOLECULAR STRUCTURE; MUTATION; PHOSPHOTRANSFERASES; SOFTWARE VALIDATION; THROMBIN;

EID: 33646265985     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0503560     Document Type: Conference Paper

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