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Analyses field

Before the comparative molecular field analysis (CoMFA), BCUT descriptors, 4D-QSAR, and HYBOT descriptors arc discussed in more detail, some further descriptors are listed briefly. [Pg.427]

After an alignment of a set of molecules known to bind to the same receptor a comparative molecular field analysis CoMFA) makes it possible to determine and visuahze molecular interaction regions involved in hgand-receptor binding [51]. Further on, statistical methods such as partial least squares regression PLS) are applied to search for a correlation between CoMFA descriptors and biological activity. The CoMFA descriptors have been one of the most widely used set of descriptors. However, their apex has been reached. [Pg.428]

Partial Least Squares and Molecular Field Analysis... [Pg.724]

Cramer R D III, D E Patterson and J D Bunce 1988, Comparative Molecular Field Analysis (CoMFA). Effect of Shape on Binding of Steroids to Carrier Proteins. Journal of the American Chemical Societ 110 5959-5967. [Pg.737]

Poso A, R Juvonen and J Gynther 1995. Comparative Molecular Field Analysis of Compounds wii CYP2A5 Binding Affinity. Quantitative Structure-Activity Relationships 14 507-511. [Pg.741]

RD Cramer III, DE Patterson, JD Bunce. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J Am Chem Soc 110 5959-5967, 1988. [Pg.365]

Work field analysis The actual analysis of a given task or the determination of the concentration of pollutants within a work region. [Pg.1488]

There are other techniques such as force field analysis and the simple Why Why technique which very quickly often reveals the root cause of a problem. [Pg.459]

A flow field analysis at fixed conical angle and varying orifice diameters confirmed that, all the strain rate distribution functions are exactly superpos-able onto a single curve when plotted against the dimensionless parameters s, = exx/(v0/r0) and x = x/r0. Three such master curves for different angles are... [Pg.158]

M. Gerloch, Magnetism and Ligand-Field Analysis, Cambridge University Press, Cambridge, 1983. [Pg.96]

Bis(oxazohnes) figands have been so widely used for the Diels-Alder reaction between N-2-alkenoyl-l,3-oxazolidine-2-one and cyclopentadiene that Lipkowitz and Pradhan developed a QSAR (quantitative structure-activity relationship) using Comparative Molecular Field Analysis (CoMFA) for a set of 23 copper-catalysts containing mainly bis(oxazoline) figands. The generated... [Pg.117]

Cho SJ, Tropsha A. Cross-validated R2-Guided region selection for comparative molecular field analysis a simple method to achieve consistent results. I Med Chem 1995 38(7) 1060-6. [Pg.318]

Asikainen A, Tarhanen J, Poso A, Pasanen M, Alhava E, Jnvonen RO. Predictive valne of comparative molecular field analysis modelling of naphthalene inhibition of human CYP2A6 and mouse CYP2A5 enzymes. Toxicol In Vitro 2003 17 449-55. [Pg.460]

A widely used 3-D QSAR method that makes use of PLS is comparative molecular field analysis (CoMFA), in which a probe atom is used to calculate the steric and electronic fields at numerous points in a 3D lattice within which the molecules have been aligned. Poso et al. [56] used the technique to model the binding of coumarins to cytochrome P450 2A5, with similar results to those obtained by Bravi and Wikel [55]. Shi et al. [57] used it to model the estrogen receptor binding of a large diverse set of compounds, and Cavalli et al. [58] used it to develop a pharmacophore for hERG potassium... [Pg.480]

Poso A, luvonen R, Gynther I. Comparative molecular field analysis of compounds with CYP2A5 binding affinity. Quant Struct-Act Relat 1995 14 507-11. [Pg.491]

Swaan PW, Szoka FC, Jr. and Oie S. Molecular modeling of the intestinal bile acid carrier a comparative molecular field analysis study. J Comput Aided Mol Des 1997 11 581-8. [Pg.512]

Kim, K. H. Calculation of hydrophobic parameters directly from three-dimensional structures using comparative molecular field analysis. J. Comput.-Aided Mol. Des. 1995, 9,... [Pg.405]


See other pages where Analyses field is mentioned: [Pg.404]    [Pg.428]    [Pg.695]    [Pg.724]    [Pg.395]    [Pg.241]    [Pg.241]    [Pg.168]    [Pg.220]    [Pg.327]    [Pg.351]    [Pg.366]    [Pg.254]    [Pg.74]    [Pg.122]    [Pg.122]    [Pg.85]    [Pg.134]    [Pg.117]    [Pg.64]    [Pg.313]    [Pg.44]    [Pg.83]    [Pg.299]    [Pg.104]   
See also in sourсe #XX -- [ Pg.36 , Pg.176 , Pg.224 ]




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Analyses in the field of fatty oils

Analysis field potential

Analysis fields requiring sensitive

Analysis of Temperature Fields

CoMFA (comparative molecular field analysi

CoMFA field analysis

Comparative Molecular Field Analysis

Comparative Molecular Field Analysis CoMFA)

Comparative Molecular Field Analysis fields comparison

Comparative Molecular Field Analysis method

Comparative Molecular Field Analysis models

Comparative field analysis

Comparative molecular field analysis COMFA), structural effects

Comparative molecular field analysis description

Comparative molecular field analysis drug properties

Comparative molecular field analysis progress

Comparative molecular field analysis property calculations

Comparative molecular field analysis steps

Crystal-field analysis

Cylindrical-electrostatic field, analysis

Electric field analysis

Electric field analysis INDEX

Field emission scanning electron microscope analysis

Field scanning, particle size analysis

Field soil dissipation studies analysis

Fields of Application in Trace, Ultratrace and Surface Analysis

Flow-injection analysis field applications

Force field microstructural analysis

Force field multipole analysis

Gradient field analysis

Magnetic Force in Nonuniform Fields Phase Analysis Method

Mean-field analysis

Molecular Coordinative Complexes by Ligand Fields Analysis

Molecular Field Analysis (CoMFA)

Molecular Field Analysis (CoMFA) Approach

Molecular field analysis

Molecular field topology analysis

Molecular field topology analysis MFTA)

Near-field analysis

Numerical Design and Analysis Techniques for Flow Field

Sedimentation field-flow fractionation analysis

Simulation Analysis of Flow-Field

Site Symmetry Through Crystal-Field Analysis

Site symmetry crystal-field analysis

Statistical analysis, field study

Statistical models comparative molecular field analysis

Temperature field analysis

Ultrasonic field analysis

Work field analysis

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