Two-step models to predict binding affinity of chemicals to the human estrogen receptor α by three-dimensional quantitative structure-activity relationships (3D-QSARs) using receptor-ligand docking simulation

SAR and QSAR in Environmental Research

Volumn 16, Issue 4, 2005, Pages 323-337

  Akahori, Y ^a   Nakai, M ^a   Yakabe, Y ^a   Takatsuki, M ^a   Mizutani, M ^b   Matsuo, M ^c   Shimohigashi, Y ^d  

^a CHEMICALS EVALUATION AND RESEARCH INSTITUTE   (Japan)

^b Inst of Medicinal Molecular Design   (Japan)

^c SETSUNAN UNIVERSITY   (Japan)

^d KYUSHU UNIVERSITY   (Japan)

Author keywords

3D QSAR; Discriminant analysis; Docking simulation; Estrogen receptor; Multiple linear regression analysis; Two step model

Indexed keywords

BINDERS; BINDING ENERGY; COMPUTATIONAL CHEMISTRY; ESTERS; FORECASTING; INDICATORS (CHEMICAL); LIGANDS; LINEAR REGRESSION; MOLECULAR GRAPHICS;

3D-QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; ALKYLPHENOLS; BINDING AFFINITIES; DOCKING SIMULATIONS; ESTROGEN RECEPTOR; MULTILINEAR REGRESSION ANALYSIS; MULTIPLE LINEAR REGRESSION ANALYSES (MLRA); PHTHALATES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; TWO-STEP MODEL;

DISCRIMINANT ANALYSIS;

EID: 24644438606     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10659360500204442     Document Type: Article

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