Decision tree network

Using a decision tree network (DTN) approach, two candidate formulations were downselected for... 

Figure 2. Decision Tree Network used in the evaluation of aTSPs.

Kohonen network Conceptual clustering Principal Component Analysis (PCA) Decision trees Partial Least Squares (PLS) Multiple Linear Regression (MLR) Counter-propagation networks Back-propagation networks Genetic algorithms (GA)... 

Since that time thousands of QSARs, covering a wide and diverse range of end points, have been published [9] most of these have used MLR, but numerous other statistical techniques have also been used, such as partial least squares, principal component analysis, artificial neural networks, decision trees, and discriminant analysis [f4]. 

Bakshi, B., Koulouris, A., and Stepanopoulos, G., Learning at multiple resolutions Wavelets as basis functions in artificial nemal networks and inductive decision trees. In Wavelet Applications in Chemical Engineering (R. L. Motard and B. Joseph, eds.) Kluwer Academic Publishers, Dordrecht/Norwell, MA, p. 139 (1994). 

Numerous QSAR tools have been developed [152, 154] and used in modeling physicochemical data. These vary from simple linear to more complex nonlinear models, as well as classification models. A popular approach more recently became the construction of consensus or ensemble models ( combinatorial QSAR ) combining the predictions of several individual approaches [155]. Or, alternatively, models can be built by rurming the same approach, such as a neural network of a decision tree, many times and combining the output into a single prediction. 

Another approach is to generate an artificial neural network [49, 50, 104, 105] or decision tree [106] to distinguish between lists of drugs and nondrugs . Neural... 

Although it may take some time to obtain additional technical information, prepare cost estimates, and prepare material for regulatory approval, at the time this report was prepared, no decision tree or network had been developed identifying milestone dates by which decisions had to be made to meet the CWC treaty deadline (April 29,2007). For each decision, a milestone date must be established, at which point the modification must either be approved or abandoned. For example, approval for a decision to use MAVs must be obtained or orders for the procurement of ONCs and the design of the associated container handling building must go forward to avoid delaying the disposal schedule. 

Artificial Neural Networks and Decision Trees. Figure 6.3 shows an example of a simple neural network that uses Ghose and Crippen atom types (43)to code the molecular... 

Once they are trained, neural networks and decision trees are very fast filter tools in virtual screening approaches. They are therefore applied early in the virtual screening filter cascade. 

Carrera G, Aires-de-Sousa J (2005) Estimation of melting points of pyridinium bromide ionic liquids with decision trees and neural networks. Green Chem 7 20-27... 

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... 

In YAM [Duchateau et al. 2009a,b], the combination of similarity measures is performed by a machine learning classifier. Authors consider that any classifier is a matcher since it classifies pairs of schema elements as relevant or not. Thus, the combination of the similarity measures depends on the type of classifier (decision tree, Bayes network, neural network, etc.). 

---