CART analysis

Gordon et al. (48) recently performed a pathway-based pharmacogenomic study on rectal cancer treated with chemoradiation in which they evaluated 21 polymorphisms in 18 genes involved in the critical pathways of cancer progression (drug metabolism, tumor microenvironment, cell cycle control, and DNA repair). They applied the CART analysis and found that a classification tree with four genes (lL-8, lCAM-1, TGF-, and... 

Spadaccini R, Trabucco F, Saviano G, Picone D, Crescenzi O, Tancredi T, Temussi PA (2003) The mechanism of interaction of sweet proteins with the T1R2-T1R3 receptor evidence from the solution structure of G16A-MNEI. J Mol Biol 328 683-692 Spillane WJ, Kelly DP, Curran PJ, Feeney BG (2006) Structure-taste relationships for disubsti-tuted phenylsulfamate tastants using classification and regression tree (CART) analysis. J Agric Food Chem 54 5996-6004... 

Recommended Equipment. A list of analy2ers (stand-alone or in a mobile cart) and level of detection for specific gas and particle analysis... 

Two standard estimation methods for heat of reaction and CART are Chetah 7.2 and NASA CET 89. Chetah Version 7.2 is a computer program capable of predicting both thermochemical properties and certain reactive chemical hazards of pure chemicals, mixtures or reactions. Available from ASTM, Chetah 7.2 uses Benson s method of group additivity to estimate ideal gas heat of formation and heat of decomposition. NASA CET 89 is a computer program that calculates the adiabatic decomposition temperature (maximum attainable temperature in a chemical system) and the equilibrium decomposition products formed at that temperature. It is capable of calculating CART values for any combination of materials, including reactants, products, solvents, etc. Melhem and Shanley (1997) describe the use of CART values in thermal hazard analysis. 

Deconinck, E., Hancock, T., Coomans, D., Massart, D. L., Heyden, Y. V. Classification of drugs in absorption classes using the Classification And Regression Trees (CART) methodology./. Pharm. Biomed. Analysis 2005, 39, 91-103. 

Frank IE (1989) Classification models discriminant analysis, SIMCA, CART. Chemom Intell Lab Syst 5 247... 

Canonical Correlation Analysis Principal Component Regressionb Classification and Regression Trees (CART) Linear Learning Machine Neural Networks Adaptive Least Squares Genetic Programming Logistic Regression... 

Once clusters were determined, the next step was to identify which measures were important in defining the clusters. A classification procedure similar to discriminant analysis was used to determine which attributes actually placed a point in a particular cluster. Because all measurements are categorical (presence or absence), a nonparametric procedure called classification and regression tree (CART) was used. 

The most popular classification methods are Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA), Regularized Discriminant Analysis (RDA), K th Nearest Neighbours (KNN), classification tree methods (such as CART), Soft-Independent Modeling of Class Analogy (SIMCA), potential function classifiers (PFC), Nearest Mean Classifier (NMC) and Weighted Nearest Mean Classifier (WNMC). Moreover, several classification methods can be found among the artificial neural networks. 

D 3D AD ADME ADMET ANN ARD BCI BCUT BNN C4.5 CART ClogP CoMFA CV Two dimensional Three dimensional Applicability domain Absorption, distribution metabolism, and excretion Absorption, distribution metabolism, excretion, and toxicity Artificial neural network Automatic relevance determination Bernard chemical information Burden, CAS, University of Texas descriptors Bayesian neural network Decision trees using information entropy Classification and regression tree Calculated partition coefficient between octanol and water Comparative molecular field analysis Cross-validation... 

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