Decision tree approach

The benefit of using the decision tree approach is that it clarifies the decision-making process. The discipline required to construct a logical decision tree may also serve to explain the key decisions and to highlight uncertainties. 

The purpose of this study is only intended to illustrate and evaluate the decision tree approach for CSP prediction using as attributes the 166 molecular keys publicly available in ISIS. This assay was carried out a CHIRBASE file of 3000 molecular structures corresponding to a list of samples resolved with an a value superior to 1.8. For each solute, we have picked in CHIRBASE the traded CSP providing the highest enantioselectivity. This procedure leads to a total selection of 18 CSPs commercially available under the following names Chiralpak AD [28], Chiral-AGP [40], Chiralpak AS [28], Resolvosil BSA-7 [41], Chiral-CBH [40], CTA-I (microcrystalline cellulose triacetate) [42], Chirobiotic T [43], Crownpak CR(-i-) [28], Cyclobond I [43], DNB-Leucine covalent [29], DNB-Phenylglycine covalent [29], Chiralcel OB [28], Chiralcel OD [28], Chiralcel OJ [28], Chiralpak OT(-i-) [28], Ultron-ES-OVM [44], Whelk-0 1 [29], (/ ,/ )-(3-Gem 1 [29]. 

Toxtree (http //toxtree.sourceforge.net/) is a full-featured and flexible open source application which can be used to estimate various kinds of toxic hazard by applying a decision tree approach. 

It is recommended that a flow chart/decision tree approach be used to evaluate whether or not a compound is immunotoxic (initial screening). Detection of compounds as potential immunotoxicants can then be followed up by more detailed in vitro mechanistic assays... 

A decision tree approach for reducing the time to develop and manufacture formulations for the first oral dose in humans has been described by Hariharan et al.86 and is reproduced in Scheme 3.1. The report summarized numerous approaches to the development and manufacture of Phase I formulations. Additional examples of rapid extemporaneous solution or suspension formulations for Phase I studies have been reported.87,88... 

A decision tree approach for the development of first human dose. FTIM = first in man CIC = chemical in capsule CIB = chemical in bottle CICIB = chemical in cap- [Pg.35]

CPDB. 2007 The carcinogenic potency database website, http //potency.berkeley.edu/cpdb.htnil Cramer, G.M., R.A. Ford, and R.A. Hall. 1978. Estimation of toxic hazard - A decision tree approach. Food Cosmet. Toxicol. 16 255-276. 

Pelletier, D. and Greene, N. (2007) Evaluation of phototoxicity alerts in DEREK and use of a fingerprint-based decision tree approach to identify potential novel alerts. The Toxicologist,... 

Cramer C.M., Ford R.A., Hall R.L., (1967) Estimation of a toxic hazard - a decision tree approach. Food and Cosmetics Toxicology 5, pp 293-308. 

In order to answer those needs specified above, a collaborative effort (BIOSAFEPAPER) was undertaken in the fifth EU framework programme. In this project, coordinated by the University of Kuopio, Finland, nine European research institutes and 16 industrial partners aimed at establishing a test battery with relevant toxicological endpoints and allowing a decision-tree approach to ensure consumer safety. An important aspect of the undertaking was also the development of extraction procedures compatible with the tests and reflecting real-life conditions. 

Recursive partitioning, also known as the decision tree approach, is another powerful method to extract knowledge from a database. Wagener and Geerestein have explored the WDI and ACD databases to train a decision tree for the discrimination of drugs and nondrugs (28). Figure 6.4 shows a partial decision tree derived by the authors. One rule derived from this partial tree is, for example, if a compound possesses no alcohol and a tertiary aliphatic amine but no methylene linker between a heteroatom and a carbon atom, it is not... 

One objective of the GHS is for it to be simple and transparent with a clear distinction between classes and categories in order to allow for self classification as far as possible. For many hazard classes the criteria are semi-quantitative or qualitative and expert judgement is required to interpret the data for classification purposes. Furthermore, for some hazard classes (e.g. eye irritation, explosives or self-reactive substances) a decision tree approach is provided to enhance ease of use. 

A decision-tree approach has also been recommended as an aid to rational efficient salt selection. In any event, selection criteria need to be directly linked to the clinical use situation and the appropriate dosage form, as criteria for, e.g., a parenteral product will obviously substantially differ from those for an inhalation aerosol. 

WHO has developed a decision tree approach to determine the human health risk from exposure to GMOs. 

All scientific efforts are reviewed by an independent experts panel of academic dermatologists, toxicologists, and environmental scientists. The experts panel uses a decision tree approach to assessing the dermal, systemic, and environmental endpoints. Conclusions of the expert panel on safe use, drawn from critical evaluation of all available hazard data, and exposure information provided by industry, form the basis for standards issued by the International Fragrance Association. 

Cramer GM, Ford RA, Hall RL. Estimation of toxic hazard—A decision tree approach. J Cosmet Toxicol 1978 16 255-76. 

A decision tree approach to parenteral formulation for use at the discovery stage of development has been published covering compounds that are strong or weak acids, strong or weak bases or neutral entities. In addition to this paper, several useful reviews have also been published recently that specifically cover the requirement for early formulations. " ... 

The sequential decision tree approach considers whether polymorphism in a drug substance can affect performance of the drug product and leads to a final decision point for determining whether polymorph specifications need to be set for a drug product. 

The TTC concept was adopted by the Joint FAOAVHO Expert Committee on Food Additives (JECFA) to evaluate flavoring agents in food, and it is also now used by the European Food Safety Authority. In the TTC decision-tree approach of Kroes et al. (2004), proteins, heavy metals, and dioxins were excluded because the database used to derive TTC values did not include proteins and heavy metals, and the extreme species-dependence of the dioxins and related compounds made it less useful for this category (compared to the existing toxicity equivalence factor method). This approach could be much more widely used to categorize trace chemicals in the environment as well as help prioritize the thousands of untested chemicals for further evaluation. 

ToxTree is the newest cancer hazard estimation tool downloadable at the European Chemical Bureau website (http //ecb.jrc.it/qsar/qsar-tools/index.php c=TOXTREE). It is a structural alert-based program with a decision tree approach. 

Seller and Canter (13) evaluted seven empirical methods to determine their usefulness in predicting the ground-water pollution effects of a waste disposal facility at a particular site. The methods they reviewed included rating schemes, a decision tree approach, a matrix and a criteria-listing method. They determined that each method took into account the natural conditions and facility design and construction, but that each method was best applied to the specific situation for which it was designed. 

Campbell, T.C., A decision tree approach to the regnlation of food chemicals associated... 

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