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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Physical Property Prediction in Organic Chemistry - Proceedings of the Beilstein Workshop, 16-20th May, 1988, Schloss Korb, Italy (Paperback, Softcover reprint of the original 1st ed. 1988)
Loot Price: R2,976
Discovery Miles 29 760
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Physical Property Prediction in Organic Chemistry - Proceedings of the Beilstein Workshop, 16-20th May, 1988, Schloss Korb, Italy (Paperback, Softcover reprint of the original 1st ed. 1988)
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For more than 100 years the Beilstein Handbook has been publishing
checked and evaluated data on organic compounds. It has become the
major reference book for the chemical and physical properties of
organic com pounds. The prediction of these physical properties was
the subject of the Beilstein workshop. The ability to predict
physical properties is for several reasons of great interest to the
Beilstein Institute. It is of primary importance to be able to
check the abstracted data for accuracy and to eliminate simple
mistakes like typing errors. Presently all the work whether
manuscript writing or evaluation of data is carried out manually.
This is very time consuming, with the entry of Beilstein into
electronic data gathering and publication, the opportunity for
computerized consistency checking has become available. Contrary to
belief, when one examines the Beilstein Handbook or Chemical
Abstracts there is a dearth of chemical information. There are a
great many compounds but few are well defined resulting in large
gaps in the information available to the chemist. These information
gaps could be filled by using algorithmic methods to estimate the
properties of interest. An important question to answer is "What is
the chemist's reaction to estimated data?" Will he accept it for
use, within limits defined by the method, or will it be
unacceptable and therefore detrimental for the data base. However
if one could partly fill gaps in the data base the increase in the
power of the search techniques would be marked."
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