Steric Fit in Quantitative Structure-Activity Relations [electronic resource] /

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.

Bibliographic Details

Main Authors:	Balaban, Alexandru T. author., Chiriac, Adrian. author., Motoc, Ioan. author., Simon, Zeno. author., SpringerLink (Online service)
Format:	Texto biblioteca
Language:	eng
Published:	Berlin, Heidelberg : Springer Berlin Heidelberg, 1980
Subjects:	Chemistry., Chemistry, Physical and theoretical., Theoretical and Computational Chemistry.,
Online Access:	http://dx.doi.org/10.1007/978-3-642-48316-5
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