ABSTRACT: The Quantitative
structure-Activity Relationship (QSAR) study has been performed on pattern of
structure-molecule relationship. Artificial Neural Network (ANN) model used to
estimate pattern of enzyme activity structure-molecule and atomic location in
three-dimension for compound of flavonoid as the predictors. Value of
determination coefficient used to compare between actual value and value of
estimating by ANN models based on enzyme’s wavelength, so resulting cross
validating is obtained. We use Quasy-Newton algorithm with
Broyden-Fletcher-Goldfarb-Shanno (BFGS) procedure.
Keywords: QSAR, PCR, ANN, BFGS
procedure, Quasy-Newton
Penulis: Supriyanto
Kode Jurnal: jpkimiadd090051
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