The signature molecular descriptor. 2. Enumerating molecules from their extended valence sequences

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 3, 2003, Pages 721-734

  Faulon, Jean Loup ^a   Churchwell, Carla J ^a   Visco Jr , Donald P ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b Tennessee Technological University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; BIOCHEMICAL ENGINEERING; ENZYME INHIBITION; FULLERENES; GENETIC ALGORITHMS; GRAPH THEORY; MOLECULAR GRAPHICS; MONTE CARLO METHODS; PARAFFINS;

CANONICAL REPRESENTATIONS; DESCRIPTORS;

MOLECULAR STRUCTURE;

HYDROCARBON; PEPTIDE; PROTEINASE INHIBITOR;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER AIDED DESIGN; IC 50; ISOMERISM; METHODOLOGY;

ALGORITHMS; CHEMISTRY, PHARMACEUTICAL; COMPUTER-AIDED DESIGN; HIV PROTEASE INHIBITORS; HYDROCARBONS; INHIBITORY CONCENTRATION 50; ISOMERISM; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PEPTIDES;

EID: 0038173400     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci020346o     Document Type: Article

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