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PREDICTOR module

This simulation and other computational studies were carried out with the Polymorph Predictor and Crystal Packer modules in the Cerius2 suite of programs from Molecular Simulations. We thank MSI (Cambridge and San Diego) for their continuing cooperation and assistance. [Pg.306]

The module included here is based on the fourth order method of Milne (ref. 4), where the predictor... [Pg.270]

D Data Mining module utilizing the novel concept of Chemically Relevant Principal Components to visualize and analyze chemical space of results from ADMET Predictor. [Pg.230]

This package from SimulationsPlus allows prediction of many of the same toxicity endpoints available in TOPKAT but employs different modeling methodology. In addition, QSTRs for estrogen receptor modulation, maximum recommended therapeutic dose, carcinogenic potency, and cardiotoxicity (hERG-encoded K+ channel affinity) are available in ADMET Predictor (,http //www.simulationsplus.com/index.html). [Pg.189]

Velasco, M., et al. Acute and chronic electrical stimulation of the centromedian thalamic nucleus modulation of reticulo-cortical systems and predictor factors for generahzed seizure control. Arch. Med. Res., 2000,31 304-315. [Pg.457]

Riserus U, Amlov J, Berglimd L. Long-term predictors of insulin resistance role of lifestyle and metabolic factors in middle-aged men. Diabetes Care, 2007, 30 2928 -33. Lopez S, Bermudez B, Pacheco YM, et al. Distinctive postprandial modulation of beta cell fimction and insulin sensitivity by dietary fats monoimsaturated eompared with saturated fatty acids. Am J Clin Nutr. 2008, 88 638-644. [Pg.120]

A web-based predictor, AquaSol, is available online through the ChemDB portal that can be applied to the problem of predicting aqueous solubility [54]. Molpro, another module in the portal, predicts molecular properties other than 3D stmctures. [Pg.109]

The Enslein Model in ADMET Predictor supplies and y ax values, respectively, in units of pM and nmol min runoP P450. For user convenience, V ass. is converted into units of nmol min mg microsomal protein (human liver) and into metabolic intrinsic clearance units of pL min mg microsomal protein. The conversion factors were obtained from Inoue et al. (2006). The Enslein Metabolism Module was used to predict and y, values for the hydroxylation of 15 pyrethroids... [Pg.69]

Proteomic profiles to provide predictors of drug-modulated targets and responses... [Pg.380]

Xiao, Z., Serum proteomic profiles suggest celecoxib-modulated targets and response predictors. Cancer Res., 64, 2904-2909 (2005). [Pg.405]

See other pages where PREDICTOR module is mentioned: [Pg.54]    [Pg.66]    [Pg.162]    [Pg.54]    [Pg.66]    [Pg.162]    [Pg.22]    [Pg.197]    [Pg.228]    [Pg.460]    [Pg.273]    [Pg.59]    [Pg.60]    [Pg.65]    [Pg.216]    [Pg.147]    [Pg.227]    [Pg.414]    [Pg.779]    [Pg.2444]    [Pg.696]    [Pg.1075]    [Pg.162]    [Pg.47]    [Pg.490]    [Pg.46]    [Pg.157]    [Pg.1263]    [Pg.29]    [Pg.10]    [Pg.2670]    [Pg.2306]    [Pg.197]    [Pg.108]    [Pg.544]    [Pg.145]    [Pg.223]   
See also in sourсe #XX -- [ Pg.169 ]



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Predictors

Proteomic Profiles to Provide Predictors of Drug-Modulated Targets and Responses

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