Source:http://linkedlifedata.com/resource/pubmed/id/11500122
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
4
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| pubmed:dateCreated |
2001-8-13
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| pubmed:abstractText |
A class of models for predicting boiling points of cycloalkanes is put forward, based on iterated line graphs L(i), i = 1, 2,., of the molecular graph G = L(0). Let m(i) be the number of edges of L(i), i = 0, 1, 2,. The models analyzed are of the form a(0)m(i)()(0) + a(1)m(i)(1) + a(2)m(i)(2) +. + a(k)m(ik) + b. Our optimal QSPR formulas contain m(0), m(1), m(2), m(3), and/or m(4) but never m(5) and m(6). Their precision is as good as or better than the approximations recently reported by Rücker and Rücker (J. Chem. Inf. Comput. Sci. 1999, 39, 788-802).
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:issn |
0095-2338
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| pubmed:author | |
| pubmed:issnType |
Print
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| pubmed:volume |
41
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
1041-5
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| pubmed:dateRevised |
2003-10-31
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| pubmed:articleTitle |
Modeling boiling points of cycloalkanes by means of iterated line graph sequences.
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| pubmed:affiliation |
Faculty of Science, University of Kragujevac, P.O. Box 60, YU-34000 Kragujevac, Yugoslavia.
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| pubmed:publicationType |
Journal Article
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