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990702s2000 nyua b 001 0 eng |
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|a 99038911
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|a 0471351687 (alk. paper)
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|a QP517.S85
|b K37 2000
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|a 572/.4
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| 100 |
1 |
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|a Karelson, Mati.
|0 http://id.loc.gov/authorities/names/n99048946
|1 http://viaf.org/viaf/165611601
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| 245 |
1 |
0 |
|a Molecular descriptors in QSAR/QSPR /
|c Mati Karelson.
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| 260 |
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|a New York :
|b Wiley-Interscience,
|c c2000.
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| 300 |
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|a x, 430 p. :
|b ill. ;
|c 25 cm +
|e 1 computer optical disc (4 3/4 in.).
|
| 336 |
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|a text
|b txt
|2 rdacontent
|0 http://id.loc.gov/vocabulary/contentTypes/txt
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|a unmediated
|b n
|2 rdamedia
|0 http://id.loc.gov/vocabulary/mediaTypes/n
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|a volume
|b nc
|2 rdacarrier
|0 http://id.loc.gov/vocabulary/carriers/nc
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| 500 |
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|a "A John Wiley & Sons, Inc., publication."
|
| 504 |
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|a Includes bibliographical references and index.
|
| 505 |
0 |
0 |
|g 1.
|t Introduction --
|g 2.
|t Empirical Molecular Descriptors.
|g 2.1.
|t Historical Background.
|g 2.2.
|t Structural Descriptors.
|g 2.3.
|t Solvational Descriptors --
|g 3.
|t Theoretical Molecular Descriptors.
|g 3.1.
|t Classification of Theoretical Molecular Descriptors.
|g 3.2.
|t Constitutional and Geometrical Descriptors.
|g 3.3.
|t Topological Descriptors.
|g 3.4.
|t Charge-Distribution-Related Descriptors.
|g 3.5.
|t Molecular Field Approach.
|g 3.6.
|t Quantum Chemical Descriptors.
|g 3.7.
|t Solvational Descriptors --
|g 4.
|t Methods for Development of QSAR/QSPR.
|g 4.1.
|t Introduction.
|g 4.2.
|t Linear and Multiple Linear Regression Methods.
|g 4.3.
|t Derivation of Best Multilinear Regression Models in Large Descriptor Spaces.
|g 4.4.
|t Nonlinear Methods.
|g Appendix.
|t Computer Software for Calculation of Molecular Descriptors and Derivation of QSAR/QSPR.
|
| 650 |
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0 |
|a QSAR (Biochemistry)
|x Mathematical models.
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| 901 |
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|a ToCBNA
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| 903 |
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|a HeVa
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|a Hathi
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|t Library of Congress classification
|a QP517.S85K37 2000
|l JCL
|c JCL-Sci
|i 4766489
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| 928 |
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|t Library of Congress classification
|a QP517.S85K37 2000
|l JCL
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|t Library of Congress classification
|a QP517.S85K37 2000
|v text
|l JCL
|c JCL-Sci
|e CRERAR
|b 55646345
|i 6719667
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| 927 |
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|t Library of Congress classification
|a QP517.S85K37 2000
|v CDROM
|l JCL
|c JCL-SMedia
|e CRERAR
|b 49968781
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