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" Steric Fit in Quantitative Structure-Activity Relations "
by Alexandru T. Balaban, Adrian Chiriac, Ioan Motoc, Zeno Simon.
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BL
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| Record Number
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748924
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b568880
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| Main Entry
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by Alexandru T. Balaban, Adrian Chiriac, Ioan Motoc, Zeno Simon.
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| Title & Author
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Steric Fit in Quantitative Structure-Activity Relations\ by Alexandru T. Balaban, Adrian Chiriac, Ioan Motoc, Zeno Simon.
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| Publication Statement
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Berlin, Heidelberg : Springer Berlin Heidelberg, 1980
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| Series Statement
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Lecture notes in chemistry, 15.
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(vii, 178 pages)
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| ISBN
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364248316X
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: 9783642483165
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| Contents
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Detailed Contents --; 1 Introduction --; 2 Steric and other Structural Parameters for QSAR --; 2.1 Correlational Equations and Predictor Variables --; 2.2 Steric Parameters --; 2.3 Indicator Variables --; 2.4 Electronic Parameters --; Synopsis --; 2.5 Intermolecular Force Parameters --; 3 Topological Indices --; 3.1 Enumeration of Topological Indices --; 3.2 Applications of Topological Indices --; 4 MSD. Minimal Steric Difference (Simple Version) --; 4.1 CorrelationsBiological Activity --; CMSD --; 4.2 Correlations with MSD and Other Parameters --; 4.3 Comparison Between Topological Indices, MSD and Other Sterical Parameters --; 5 MTD-Receptor Site Mapping --; 5.1 Demonstration of formula C5) for?Y(?t?) --; 5.2 QSAR for?-Chymotrypsine Catalyzed Hydrolyses of Esthers --; 5.3 Comparative MTD and Free-Wilson Study of Antiinflamatory Activity of Substituted Cortisol Derivatives --; 5.4 Comparative MTD and Free-Wilson Study of Affinity for?-Adrenergic Receptors of Epinephrine Substitution Derivatives --; 5.5 Oestrogenic Activity --; 5.6 Dihydrofolate Reductase Inhibition --; 5.7 Other Correlational Work on MTD --; 5.8 Vertices as Indicator Variables --; 6 MCD --; Monte Carlo Version for Minimal Steric Difference --; 6.1 The Method to Calculate Nonoverlapping Volumes --; 7 Metrics in Biochemistry. The Metric Induced by Minimal Steric Differences --; 8 Conclusions --; 9 Appendix --; 9.1 The MTD/1-program --; 9.2 The MCD --; program --; 10 References.
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| Subject
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Chemistry.
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| LC Classification
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QP906.S75B935 1980
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| Added Entry
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Adrian Chiriac
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Alexandru T Balaban
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Ioan Motoc
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Zeno Simon
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