SAR methodology

Although the present review focuses on the MULTICASE SAR methodology (3-5), the concepts discussed herein apply to all generally available SAR techniques used to study toxicological phenomena. Basically SAR approaches that have been used fall into two categories those that are based on statistical automated algorithms not dependent on prior expert judgment and those that are a priori... 

Reviews and assessments of the various SAR methodologies used to analyze toxicological phenomena are available (16-21). 

Once an SAR model has been developed and validated, it can be applied in a number of fashions. SAR methodologies, such as MULTICASE (3-5), which document predictions (Table 19.2), are obviously preferable to those... 

SAR methodologies, in their present state, coupled with human expertise, can be used to determine and to understand the potential toxicity of therapeutic agents. In fact, this approach can be used to engineer molecules devoid of the moieties associated with these unwanted side effects. It must be understood, however, that while SAR techniques can be used to accelerate the identification and development of safe therapeutic agents, it is to be used as an adjunct to experimental determinations. 

THE STUDY OF STRUCTURE-ANTIARRHYTHMIC ACTIVITY RELATIONSHIP OF BIOLOGICAL ACTIVITY COMPOUNDS USING SAR-METHODOLOGY... 

With this there is clear that the present Spectral-SAR algebraic SAR methodology not only recovers in great details the standard statistical QSAR routine but also generalizes to a great analyticity extent towards better assessment of mechanistically ordering and influences in practical eco- and bio- logical applications. 

With the present Qua-SAR methodology one can appropriately identify the molecular pairs that drive certain bio-/eco- activities against given receptor by means of selected descriptors in a wave - or quantum mechanistic formal way. The ultimate goal will be the computation of quantum-SAR factors along the least paths of actions that give the potential information of the conversion power of the fittest molecules in their specific bindings. 

Here we like to test the performance of the SPECTRAL-Diagonal stmc-ture-activity relationship (SD-SAR) methodology of Section 3.2.2 (Putz, 2013a), against the ordinary QSAR analysis, see Section 2.4.3, for the anti-HTV class of chemical compounds of Section 3. 3.7. 1, either for genuine (as in gas-phase), or Simplified Molecular Input Line Entry System (SMILES) (as in cellular environment, see Section 3. 2.9) molecular forms. 

With all these, one may widely concluding that the presented SPECTRAL-SAR methodology provides the possibility of analytical... 

The development of new synthetic methodology has successfully enabled the investigation of structure-activity relationships (SAR) of perylenequinone agents for use in photodynamic therapy. Simplified analogs, such as (M)-96, that have potency equal to the natural product hypocrellin and superior chromophores to improve photoactivation in the therapeutic window were prepared. 

On the other hand, mostly synthetic methodologies have been developed so far and this will definitely be furthered by better understanding the activity mechanisms via specific SAR studies, enabling antibiotic optimization of existing antibiotics and the construction of new ones. In this way our fundamental knowledge of... 

Posner and coworkers have developed versatile methodology for the synthesis of novel 1,2,4-trioxanes that has allowed detailed investigation of their Structure-Activity Relationships (SAR) , while Jefford and coworkers first synthesized fenozan BO-7, so naturally some of their work has centered on its mechanism of action. Avery and coworkers have also contributed significantly to the area by the syntheses and QSAR (Quantitative SAR) studies of many artemisinin analogues. 

A software application designed to help companies evaluate new chemical alternatives for concern characteristics. The P2 Framework organizes and integrates the SAR/QSAR tools and methodologies OPPT uses to evaluate new chemicals... 

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