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CONTRIBUTORS:
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JOURNAL:
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YEAR:
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2000
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PUB TYPE:
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Journal Article
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SUBJECT(S):
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chemistry - biochemistry; chemistry - computational; chemistry - organic; chemistry - physical; informatics - models implementation; mathematics - modeling; mathematics - statistics; research - methodology
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DISCIPLINE:
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Chemistry
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HTTP:
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http://lori.academicdirect.org/works/?id=7
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LANGUAGE:
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English
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PUB ID:
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103-434-602
(Last edited on
2007/07/08 04:26:18 GMT-6)
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SPONSOR(S):
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ABSTRACT:
A new approach, leading to a fragmental property index family, FPIF, is presented.
Indices are calculated as local descriptors of some molecular fragments and the global values are then obtained by summing the fragmental contributions. The modeling ability of FPIF is demonstrated by modeling some physico-chemical properties and biological activities on selected sets of organic compounds. The results are compared to those reported in some previous works.
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STATISTICS
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37
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1
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