BioSM: Metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure space

Journal of Chemical Information and Modeling

Volumn 53, Issue 3, 2013, Pages 601-612

  Hamdalla, Mai A ^a   Mandoiu, Ion I ^a   Hill, Dennis W ^a   Rajasekaran, Sanguthevar ^a   Grant, David F ^a  

^a UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BODY FLUIDS; DATABASE SYSTEMS; METABOLITES; PLANTS (BOTANY); SCAFFOLDS; STATISTICAL METHODS; STRUCTURE (COMPOSITION);

BIO-CHEMICAL COMPOUNDS; EMPIRICAL EXPERIMENTS; GRAPH-MATCHING METHODS; IDENTIFICATION OF UNKNOWNS; LEAVE-ONE-OUT CROSS VALIDATIONS; PLANT SECONDARY METABOLITES; STRUCTURAL IDENTIFICATION; SYNTHETIC CHEMICALS;

MAMMALS;

CYTOCHROME;

ALGORITHM; ANIMAL; ARTICLE; ARTIFICIAL INTELLIGENCE; BODY FLUID; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; MAMMAL; METABOLISM; METABOLOMICS; METHODOLOGY; MOLECULAR LIBRARY; PROTEIN DATABASE; REPRODUCIBILITY;

ALGORITHMS; ANIMALS; ARTIFICIAL INTELLIGENCE; BODY FLUIDS; CYTOCHROMES; DATABASES, PROTEIN; HUMANS; MAMMALS; METABOLOMICS; MODELS, CHEMICAL; MODELS, MOLECULAR; REPRODUCIBILITY OF RESULTS; SMALL MOLECULE LIBRARIES;

EID: 84875455488     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300512q     Document Type: Article

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