Supercomputers Directions in Technology and Applications (1989) / Chapter Skim
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6. Deciding to Aquire a Powerful New Research Tool-Supercomputing
6. Deciding to Aquire a Powerful New Research Tool-Supercomputing
Pages 73-80
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From page 73... ...
Government regulations require that these data be kept in archives and that statistical analyses be done on the data to prove Abbott's claims of drug effectiveness and safety. Laboratory automation systems include many special-purpose instruments that connect to computers for data collection, analysis, and possibly delivery via the computer network to a central processor or database.
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From page 74... ...
This is the computer version of putting together the ball-and-stick plastic models of chemical compounds. The computer further enables the researcher to visualize a molecular structure, examine it, compute its theoretical properties, and attempt to determine what it is about the molecule that makes it particularly useful for a drug application.
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From page 75... ...
The ultimate goals of interactive and batch processing are to elucidate chemical structures, derive theoretical physical properties, relate these to observed chemical behavior, and deduce what aspects of a chemical compound result in a desired drug action. With the understanding gained from such information, it may perhaps be possible to develop a better drug, a drug that perhaps is more easily absorbed by the body, or will not break down in body tissues, or will not have serious side effects, or will be more specific in its behavior.
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From page 76... ...
Then one must wait until the batch calculation is completed, only to find, perhaps, that some of the computational time was wasted on exploring an unfruitful avenue. A human can get into the loop if the time it takes to calculate each iterative step is reduced to the point that a batch calculation becomes interactive- to the point that the iteration interval is short enough that a human can monitor the progress of the iterations continuously and can intervene to take a corrective or exploratory action.
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From page 77... ...
From these fundamental particles, physics allows us to derive some physical properties that vary continuously throughout the volume of the molecular structure. We are looking for new ways to visualize these physical properties to gain new insights.
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From page 78... ...
We were able to assert the competitive advantage to being the first pharmaceutical company to purchase a supercomputer. Also significant was the fact that we already had some champions in the ranks of upper management who had drawn their own conclusions, early on, about the scientific promise of a supercomputing environment.
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From page 79... ...
Every company has different attitudes about departmental computing versus central computing, operating systems, graphics requirements, and so on. Making sure that the vendor and purchaser share a common vision ensures a greater ability to achieve desired goals.
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From page 80... ...
The simple reason is summed up in an adage that applies to everything from personal computers to supercomputers: There will always be something better next . We at Abbott have made that decision even though there are several players in the picture, each with distinct advantages, whether available today or promised for the future.
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