Statistical analysis screening

In general, the first step in virtual screening is the filtering by the application of Lipinski s Rule of Five [20]. Lipinski s work was based on the results of profiling the calculated physical property data in a set of 2245 compounds chosen from the World Drug Index. Polymers, peptides, quaternary ammonium, and phosphates were removed from this data set. Statistical analysis of this data set showed that approximately 90% of the remaining compounds had ... 

The main objective of the In-Plant Reliability Data System (IPRDS) was to develop a comprehensive and component-specific data base for PRA and other component reliability-related statistical analysis. Data base personnel visited selected plants and copied all the plant maintenance wor)c requests. They also gathered plant equipment lists and plant drawings and in some cases interviewed plant personnel for Information on component populations and duty cycles. Subsequently, the maintenance records were screened to separate out the cases of corrective maintenance applying to particular components these were reviewed to determine such things as failure modes, severity, and, if possible, failure cause. The data from these reports were encoded into a computerized data base. 

More recent publications on sulfosuccinates have confirmed the minimal or close to zero skin and eye irritation caused by these products. In a general screening of product safety evaluation methods the authors [16] rejected the sulfosuccinate from further consideration in the statistical analysis of experimental data (variance analysis) because the product had not shown any irritation in the Duhring-Chamber test. The sulfosuccinate (based on fatty alcohol ethoxy late) was tested in a screening with 14 other surfactants, namely, alkyl sulfates, sulfonates, ether sulfates, and a protein fatty acid condensation product. 

Table 11.5. Statistical analysis of the Group 2 data for the lPt/15Ba/5Fe catalyst in the screening study...

Gad, S.C. (1989c). Statistical analysis of screening studies in toxicology with special emphasis on neurotoxicology.J. Amer. Coll. Toxicol. 8 171-183. 

Dudewicz, E.J. Statistical Analysis of Magnetic Resonance Imaging Data in The Normal Brain, Part I Data, Screening, Normality, Discrimination, Variability" unpublished report, 1985. 

We decided to examine only one sample size for the design, 4096. Abt et al. (6) examined sample size, among other factors, when studying sequential screening. Yi et al. (20) also used a sample size of 4096 when studying the optimization of a statistical analysis method for this dataset. Both studies indicated that relatively small sample sizes of 5000 to 10,000 compounds could be used to produce useful trees. Clearly, large sample sizes should lead to better... 

Conte, P. (2008). IH NMR spectroscopy with multivariate statistical analysis as a tool for a rapid screening of the molecular changes occurring during micro-oxygenation of an Italian red wine. Open Magn. Reson. J. 1, 77-80. 

For the analysis of exfoliated cells (such as an automated Pap test for cervical cancer screening), the ability to collect the spectrum of each individual cell separately by mapping methods is even more important, since statistical analysis... 

For a two-level factorial design, only two excipients can be selected for each factor. However, for the filler-binder, a combination of brittle and plastic materials is preferred for optimum compaction properties. Therefore, different combinations such as lactose with MCC or mannitol with starch can count as a single factor. Experimental responses can be powder blend flowability, compactibility, blend uniformity, uniformity of dose unit, dissolution, disintegration, and stability under stressed storage conditions. The major advantage of using a DOE to screen prototype formulations is that it allows evaluation of all potential factors simultaneously, systematically, and efficiently. It helps the scientist understand the effect of each formulation factor on each response, as well as potential interaction between factors. It also helps the scientist identify the critical factors based on statistical analysis. DOE results can define a prototype formulation that will meet the predefined requirements for product performance stability and manufacturing. 

Kevorkov, D. and Makarenkov, V. 2005. Statistical analysis of systematic errors in high-throughput screening. J. Biomol. Screen. 10, 557-567. 

As an example, we can look at how data for a clinical study would be entered without networking and groupware applications. First, data entry screens would be designed and copied to a disk to be distributed to the computers where the data entry was done. The data would be entered and copied back to a disk. The disks would then be collected and merged together at some computer. The data would then be analyzed for correctness and completeness. If problems were found, the problem would be relayed back to the data entry person responsible for the problem (by a phone call, memo, or post), the work rekeyed and then re-collected and remerged. When the data entry was complete, it would be copied and handed to others for statistical analysis. 

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