Global SAR

Table 1 shows the physico-chemical characteristics of the samples. The results clearly indicate that all zeolites have the same global SAR and approximately the same sodium content. However, the SAR of the framework is much lower for the high rare earth content zeolite, showing that such a high content prevented dealumination. This feet is confirmed by the higher microporous volume of this sample as well as the lower mesoporous specific area. As expected, the samples containing rare earth elements have a lower acid site density. 

Global SAR or Rule-Based Models for Safety Pharmacology for Cardiac Channels 559... 

Local versus Global SAR Models for Toxicity Prediction 571... 

LOCAL VERSUS GLOBAL SAR MODELS FOR TOXICITY PREDICTION... 

Roberts, D.W, Aptula, A.O., Cronin, M.T., Hulzebos, E. and Padewicz, G. (2007) Global (Q)SARs for skin sensitisation assessment against OECD principles. SAR and QSAR in Environmental Research, 18, 343-365. 

Walker, J.D., Carlsen. L., Hulzebos, E., and Simon-Hettich, B., Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals, SAR QSAR Environ. Res., 13, 607-616, 2002. 

Reactive, unstable compounds, as well as covalent binders, can be removed from screening collections by substructure searches [21, 22]. At Roche, a global team of experienced medicinal chemists has defined more than 100 functionalities which are reviewed at regular intervals. This list has been augmented by unwanted features (e.g., polyacids, alkyl aldehydes, polyhalogenated phenols, etc.) which are chemically unattractive starting points for a hit-to-lead optimization, because they often result in non-optimizable SAR patterns. These chemotypes have been coded into Markush-type substructures for automated detection and removal of unwanted compounds. However, we need to stress that these filters are fully customizable, and removed chemotypes can be restored if required. 

Grammatica P., Pozzi S., Consonni V., and DiGuardo A. (2002) Classification of environmental pollutants for global mobility potential. SAR QSAR Environ. Res. 13, 205 - 217. 

Balaban, A.T. (1995b). Local (Atomic) and Global (Molecular) Graph-Theoretical Descriptors. SAR QSAR Environ.Res., 3,81-95. 

Walker JD, Carlsen L, Hulzebos E, Simon-Hettich B. Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or... 

Padewicz G, Aptula AO, Roberts DW, Kern PS, Gerberick GF, Kimber I, Dearman RJ, Ryan CA, Basketter DA (2007) An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential. SAR QSAR Environ Res 18 515-541... 

More cleaners will be targeted in the future at controlling environmental health situations like allergens. This is a natural development of the ever increasing disinfection cleaner trend. It is also extremely topical given the subliminal concern over bio-warfare threats such as the anthrax scare of 2001 to 2002 in the U.S. and the global outbreak of SARS in 2003. 

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