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ChemGPS

ChemGPS-VolSuif (GPSVS) in Clinical PK Property Modeling I 2S7... [Pg.257]

We established [54] that, in conjunction with 2D-based descriptors, ChemGPS can provide global chemical space coordinates by performing extensive comparisons with GRID-based principal properties for heteroaromatic compounds [59], principal properties ( z-scores ) of a-amino acids [60], as well as by comparison to several local PCA models. The initial ChemGPS map turned out to be 9-dimensional [54]. [Pg.258]

Oprea, T. L, Gottfries, J. ChemGPS A chemical space navigation tool, in Rational Approaches to Drug Design, Hdltje, H. D., Sippl, W. (eds.), Prous Science Press, Barcelona, 2001, pp. 437-446. [Pg.272]

Larsson, J., Gottfries, J., Bohlin, L. and Backlund, A. (2005) Expanding the ChemGPS chemical space with natural products. J. Nat. Prod., 68, 985-991. [Pg.1100]

See other pages where ChemGPS is mentioned: [Pg.131]    [Pg.54]    [Pg.331]    [Pg.258]    [Pg.257]    [Pg.258]    [Pg.259]    [Pg.269]    [Pg.749]    [Pg.14]    [Pg.493]    [Pg.373]    [Pg.42]   
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See also in sourсe #XX -- [ Pg.373 ]



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ChemGPS-VolSurf (GPSVS) in Clinical PK Property Modeling

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