Study of chromatographic retention of natural terpenoids by chemoinformatic tools

Journal of Chemical Information and Modeling

Volumn 55, Issue 1, 2015, Pages 26-38

  Oliveira, Tiago B ^a,b   Gobbo Neto, Leonardo ^a   Schmidt, Thomas J ^b   Da Costa, Fernando B ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BACKPROPAGATION; COMPLEX NETWORKS; CORRELATION METHODS; GENETIC ALGORITHMS; ISOMERS; LEAST SQUARES APPROXIMATIONS; LIQUID CHROMATOGRAPHY; PLANTS (BOTANY);

BACK PROPAGATION ARTIFICIAL NEURAL NETWORK (BPANN); CHROMATOGRAPHIC RETENTION; CHROMATOGRAPHIC SYSTEMS; CORRELATION STATISTICS; PARTIAL LEAST SQUARES REGRESSION; REVERSED PHASE LIQUID-CHROMATOGRAPHY; SESQUITERPENE LACTONES; STATISTICAL PERFORMANCE;

THREE DIMENSIONAL COMPUTER GRAPHICS;

LACTONE; SOLVENT; TERPENE;

ALGORITHM; ARTIFICIAL NEURAL NETWORK; CHEMICAL DATABASE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; LIQUID CHROMATOGRAPHY; PROCEDURES; REGRESSION ANALYSIS;

ALGORITHMS; CHROMATOGRAPHY, LIQUID; DATABASES, CHEMICAL; LACTONES; LEAST-SQUARES ANALYSIS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER); SOFTWARE; SOLVENTS; TERPENES;

EID: 84921692940     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500581q     Document Type: Article

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