Quantitative structure-activity relationships of mutagenic activity from quantum topological descriptors: triazenes and halogenated hydroxyfuranones (mutagen-X) derivatives

By Popelier P.   Smith P.   Chaudry U.  

Journal of Computer-Aided Molecular Design, Vol. 18, Iss. 11, 2004-11 ,pp. : 709-718

Springer Publishing Company

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Structure-activity relationships of diphenyl-ether as protoporphyrinogen oxidase inhibitors: insights from computational simulations

By Hao Ge-Fei  

Journal of Computer-Aided Molecular Design, Vol. 25, Iss. 3, 2011-03 ,pp. : 213-222

Springer Publishing Company

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Quantitative structure–activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives

By Smith P.J.   Popelier P.L.A.  

Journal of Computer-Aided Molecular Design, Vol. 18, Iss. 2, 2004-02 ,pp. : 135-143

Springer Publishing Company

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Quantitative Structure–activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining

By Medina-Franco Jose   Golbraikh Alexander   Oloff Scott   Castillo Rafael   Tropsha Alexander  

Journal of Computer-Aided Molecular Design, Vol. 19, Iss. 4, 2005-04 ,pp. : 229-242

Springer Publishing Company

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A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods

By Tervo Anu J.   Nyrönen Tommi H.   Rönkkö Toni   Poso Antti  

Journal of Computer-Aided Molecular Design, Vol. 17, Iss. 12, 2003-12 ,pp. : 797-810

Springer Publishing Company

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