PXR ligand classification model with SFED-weighted WHIM and CoMMA descriptors

SAR and QSAR in Environmental Research

Volumn 23, Issue 5-6, 2012, Pages 485-504

  Ma, S L ^a   Joung, J Y ^a,b   Lee, S ^a   Cho, K H ^c   No, K T ^a,b  

^a Yonsei University   (South Korea)

^b Bioinformatics and Molecular Design Research Centre   (South Korea)

^c Soongsil University   (South Korea)

Author keywords

CoMMA; machine learning; pregnane X receptor; solvation free energy density model; WHIM

Indexed keywords

DECISION TREES; FREE ENERGY; LIGANDS; MOLECULES; SOLVATION;

COMMA; DESCRIPTORS; FREE ENERGY DENSITY MODEL; KOHONEN NEURAL NETWORKS; MACHINE-LEARNING; PREGNANE X RECEPTOR; SOLVATION FREE ENERGY DENSITIES; SOLVATION FREE ENERGY DENSITY MODEL; SUPPORT VECTORS MACHINE; WHIM;

SUPPORT VECTOR MACHINES;

EID: 84864659881     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2012.665385     Document Type: Article

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