Efficiency of searching

The so-called feature tree fragment space (FTree-FS) method uses dynamic programming techniques and allows the detection of the molecule with the highest similarity to the query that can be found in the fragment space. The efficiency of searches in fragment spaces versus searches in product spaces can be easily shown. 

This ambiguous representation of chemical structures as a string allows a veiy efficient similarity search,... 

Molecular dynamics simulations are efficient for searching the conformational space of medium-sized molecules and peptides. Different protocols can increase the efficiency of the search and reduce the computer time needed to sample adequately the available conformations. 

Because fuel costs are high, the search is on for processes with higher thermal efficiency and for ways to improve efficiencies of existing processes. One process being emphasized for its high efficiency is the gas turbine combined cycle. The gas turbine exhaust heat makes steam in a waste heat boiler. The steam drives turbines, often used as lielper turbines. References 1, 2, and 3 treat this subject and mention alternate equipment hookups, some in conjunction with coal gasification plants. 

As halogen-based FRs give rise to toxic fumes and gases, the search for alternate FRs with similar properties are now a topic of great interest. The efficiency of halogen FRs are such that they are very difficult to be substituted. In this connection, polyphosphate-based nonhalogen FRs based on CNSL and cardanol offer opportunities for development [190]. 

Figures 32 and 33 shows profiles obtained with a SIMS device to detect pollution by sodium, and to a less extent by potassium. Such analyzes greatly improve the efficiency of fhe search for fhe origin of unexpected problems in the deposition process.

Although fractional crystallization has always been the most common method for the separation of diastereomers. When it can be used, binary-phase diagrams for the diastereomeric salts have been used to calculate the efficiency of optical resolution. However, its tediousness and the fact that it is limited to solids prompted a search for other methods. Fractional distillation has given only limited separation, but gas chromatography and preparative liquid chromatography have proved more useful and, in many cases, have supplanted fraetional crystallization, especially where the quantities to be resolved are small. 

In malaria chemotherapy, resistant parasites have significantly reduced the efficiency of classic antifolate drugs. In the search for novel inhibitors of... 

Cooper CK, Levine JG, Tonning JM, FramD, Millstein J, Rochester G, Szarfman A. Use of standards-based data and tools to improve the efficiency of the NDA Safety Review. 2005 FDA Science Forum. Abstract and Poster H-03. http //www. accessd at a. fda.gov/scripts/oc/scienceforum/sf2005/Search/preview. cfm abstract id=339 backto=author [accessed March 2006]. 

There were a number of practical and theoretical issues to be addressed. A key scientific question was whether fixation in formalin modified antigens in a reversible or irreversible manner. To be more specific, was there any theoretical or prior scientific evidence that the effects of formalin fixation on proteins could be reversed, and if reversed, was the structure of protein restored to a sufficient degree for recovery of antigenicity With these key questions in mind, one of the authors (Shi) spent many days and nights in 1988 searching the chemical literature under somewhat adverse conditions, with a second job as an apprentice in a supermarket, and prior to the increased efficiency of such searches that is afforded today by the Internet and online databases. The answer was finally found in a series of studies of the chemical... 

Another approach to this problem is a search for the other more effective spin traps. Frejaville et al. [23] demonstrated that the half-life of spin-adduct of superoxide with 5-(diethoxyphosphoryl)-5-mcthyl-l -pyrrolinc-/V-oxide (DEMPO) is about tenfold longer than that of DMPO OOH. Despite a much more efficiency of this spin trap, its hydrophilic properties limit its use for superoxide detection in lipid membranes. Stolze et al. [24] studied the efficiency of some lipophilic derivatives of DEMPO in the reaction with superoxide. These authors demonstrated a higher stability of superoxide spin-adducts with 5-(di- -propoxypho-sphoryl)-5-methyl-1 -pyrrolinc-A -oxidc (DPPMPO) and 5-(di- -butoxyphosphoryl)-5-methyl-... 

---