Combination of kernel PCA and linear support vector machine for modeling a nonlinear relationship between bioactivity and molecular descriptors

Journal of Chemometrics

Volumn 25, Issue 2, 2011, Pages 92-99

  Fu, Guang Hui ^a   Cao, Dong Sheng ^a   Xu, Qing Song ^a   Li, Hong Dong ^a   Liang, Yi Zeng ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Classification; De noising; Kernel methods; Kernel principal component analysis (KPCA); Structure activity relationship (SAR); Support vector machines (SVMs)

Indexed keywords

BIOACTIVITY; PRINCIPAL COMPONENT ANALYSIS; SYNTHETIC APERTURE RADAR;

DE-NOISING; KERNEL PRINCIPAL COMPONENT ANALYSE; KERNEL PRINCIPAL COMPONENT ANALYSES (KPCA); KERNEL-METHODS; LINEAR SUPPORT VECTOR MACHINES; MOLECULAR DESCRIPTORS; STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIPS; SUPPORT VECTOR MACHINE; SUPPORT VECTORS MACHINE;

SUPPORT VECTOR MACHINES;

EID: 79951876692     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1364     Document Type: Article

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