Reasonable search

This chapter will focus on (1) basic principles of search and seizure law (2) the balance between law enforcement s use of science and technological advances to the Fourth Amendment (3) when exploitation of technology should be governed by the Fourth Amendment constraints of unreasonable searches as it pertains to explosives and dangerous chemicals and (4) effect of the USA Patriot Act and related legislation on the Fourth Amendment. The question of what constitutionally determines a reasonable search is simple, its answer and application are not. 

Certification that a reasonable search of all information and other similar legally marketed medical devices has been conducted. 

Nash, R. H. (1988). Faith and reason Searching for a rational faith. Grand Rapids Zondervan. 

The term has different spellings Chemoinformatics and Cheminformatics. Searches in the database of the Chemical Abstracts Service have shown an approximately equal number of hits for both terms, with Cheminformatics gaining ground somewhat in recent years. Here, we use the spelling "Chemoinformatics" without trying to put forward reasons for that choice. 

Environmental information is available extensively on the free Internet. Two main reasons aeeount for this. First, the freedom of environmental information law and, secondly, the fact that many environmental databases which used to be available only commercially are now accessible on the free Internet. This section focuses on environmental information which is available free of charge on the Internet. Three main paths are distinguished for searching environmental information effectively. In general, all three routes should be taken into consideration for achieving a sound search result for environmental information on chemical stibstances... 

The search in the Theilhcimer reaetion database [62] provides 161 reactions for this query. If the search is performed without any additional bond spheres (covering only atoms of the inner sphere with a dark gray bac kgroiind in Figure 10.3-42 as well as the added atom groups on the precursor side), 705 reactions arc obtained in the Theilhcimer database. The result of this search is less precise than that of the first search. Additionally, reactions forming any kind of C-0 bonds (c.g., making an ether bond instead of an ester bond) arc found. However, in both searches too many hits arc obtained in order to detect suitable reactions in a reasonable... 

This is a fairly reasonable way to describe man-made amorphous polymers, which had not been given time to anneal. For polymers that form very quickly, a quick Monte Carlo search on addition can insert an amount of nonoptimal randomness, as is expected in the physical system. 

For a conformation in a relatively deep local minimum, a room temperature molecular dynamics simulation may not overcome the barrier and search other regions of conformational space in reasonable computing time. To overcome barriers, many conformational searches use elevated temperatures (600-1200 K) at constant energy. To search conformational space adequately, run simulations of 0.5-1.0 ps each at high temperature and save the molecular structures after each simulation. Alternatively, take a snapshot of a simulation at about one picosecond intervals to store the structure. Run a geometry optimization on each structure and compare structures to determine unique low-energy conformations. 

One of the most important questions for a conformational search strategy is, When have I found all of the energetically interesting con formers This is an area of active research and the ideal answer seems to be, When you find all of the local minima. However, this answer is not always reasonable, because medium to large molecules have a large number of minima (see Complexity of Potential Energy Surfaces on page 14). 

The search for substances which quahfy for proposed applications has always been a driving force for the synthesis and characterization of new compounds. This is especially true in polymer chemistry, where it is the potential of polymers as engineering materials that often stimulates research. Polymeric materials frequently fail to be serviceable in engineering applications for one of the following reasons ... 

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