Partition analysis

Chen X, Rusinko A, Young SS. Recursive partitioning analysis of a large structure-activity data set using three-dimensional descriptors. J Chem Inf Comput Sci 1998 38 1054-62. 

Young SS, Ge N. Recursive partitioning analysis of complex disease pharmacogenetics studies. I. Motivation and overview. Pharmacogenomics 2005 6(1) 65-75. 

Zaykin DV, Young SS. Large recursive partitioning analysis of complex disease pharmacogenetic studies. II. Statistical considerations. Pharmacogenomics 2005 6(l) 77-89. 

Amidon, G.L., Anik, S.T. (1980) Hydrophobicity of polycyclic aromatic compounds. Thermodynamic partitioning analysis. J. Phys. Chem. 84, 970-974. 

Once -dimensional chemical reference space has been defined, the descriptors values are calculated for all compounds in a dataset, thereby assigning a coordinate vector to each molecule. In principle, partitioning analysis could proceed in -dimensional space, but it is often attempted to reduce its dimensionality in order to generate a low-dimensional representa-... 

Using Recursive Partitioning Analysis to Evaluate Compound Selection Methods... 

Results with Surgery and Radiation Therapy Trials of Chemotherapeutic Agents Recursive Partitioning Analysis Specific Therapy Considerations in non-GBM Malignant Gliomas Radiation Therapy Strategies Novel Chemotherapeutic Agents Future Directions References... 

The results of the recursive partitioning analysis displaying the 12 terminal nodes and their amalgamation into six classes are shown in Fig. 1. The first major nodal split was identified as patient age. For the 541 patients under age 50 the most significant split was... 

Fig. 1. Results of the recursive partitioning analysis showing the major nodal splits by prognostic factor and the amalgamation of terminal nodes into six distinct classes.

Curran WJ, Scott CB, Horton J, et al. Recursive partitioning analysis of prognostic factors in three Radiation Therapy Oncology Group malignant glioma trials. J Natl Cancer Inst 1993 85 704-710. 

Komaki R, Scott CB, Byhardt RW, et al. Failure patterns by prognostic group determined by recursive partitioning analysis (RPA) of 1,547 patients on four Radiation Therapy Oncology Group studies in inoperable non-small cell lung cancer (NSCLC). Int J Radiat Oncol Biol Phys 1998 42 263-267. 

Figure 13.5 Decision tree and splitting diagram of partition analysis oftheTRI dataset and an equal randomly selected sample from the Zl NC database. Properties represented (all calculated by QikProp) QPlogPoct = logarithm of octanol-gas partition coefficient QPpolrz = polarizability SASA = solvent accessible surface area). Reproduced with permission [18].

A better description of homoaromatic systems is provided by bond orders based on the virial partitioning analysis of the total electron density distribution, which we will discuss in the next section. 

Rose, I.R. (1995) Partition analysi detection enzyme reactions cycle intermediates, in Purich, D. L. (eds.), Methods in Enzymology, 249, Enzyme Kinetics and Mechanisms, Part D, Acad. Press, San-Diego, 315-340. 

Amidon GL, Anik S, Rubin J (1975) An energy partitioning analysis of base-sugar intramolecular C-H—O hydrogen bonding in nucleosides and nucleotides. In Sundaralingam M, Rao ST (eds) Structure and conformation of nucleic acids and protein-nucleic acid interactions. University Park Press, Baltimore, pp 729- 744... 

Recursive Partitioning Analysis of a Large Structure-Activity Data Set Using Three-Dimensional Descriptors. 

Table 3 Energy partitioning analysis of the N-N, C-O and B-F bonds. Energy valnes are given in kcalmoC ...

Table 4 Energy partitioning analysis of the E-E Bond for E = F-I. Energy values are given in kcal mol ...

Chen, X., Rusinko III, A. and Young, S.S. (1998). Recursive Partitioning Analysis of a Large Structure-Activity Data Set Using Three-Dimensional Descriptors. J.Chem.lnf.Comput.ScL, 38,1054-1062. 

R. N. Bergman and C. Cobelli, Minimal modeling partition analysis and the estimation of insulin sensitivity. Fed Proc 39 110-115 (1980). 

In case of hydrophobic compounds, which strongly adsorb to particles, e.g. pentabro-modiphenylether or 5 and 6 ring polycyclic aromatic hydrocarbons, special care is required to ensure complete extraction of the particle bound fraction. Separate analysis of SPM and of the liquid would be a good option. If it can be justified, for example, by consideration of contaminant partitioning, analysis of the SPM fraction as surrogate for whole water might be appropriate. Nevertheless, in water bodies with extremely low SPM content (<3mg/L) the dissolved fraction of those contaminants contributes significantly to the total concentration, and hence, has to be taken into account. 

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