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.
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Format: | Texto biblioteca |
Language: | eng |
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Berlin, Heidelberg : Springer Berlin Heidelberg,
1980
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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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KOHA-OAI-TEST:2136022018-07-30T23:47:50ZSteric Fit in Quantitative Structure-Activity Relations [electronic resource] / Balaban, Alexandru T. author. Chiriac, Adrian. author. Motoc, Ioan. author. Simon, Zeno. author. SpringerLink (Online service) textBerlin, Heidelberg : Springer Berlin Heidelberg,1980.engDetailed 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.Chemistry.Chemistry, Physical and theoretical.Chemistry.Theoretical and Computational Chemistry.Springer eBookshttp://dx.doi.org/10.1007/978-3-642-48316-5URN:ISBN:9783642483165 |
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Chemistry. Chemistry, Physical and theoretical. Chemistry. Theoretical and Computational Chemistry. Chemistry. Chemistry, Physical and theoretical. Chemistry. Theoretical and Computational Chemistry. |
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Chemistry. Chemistry, Physical and theoretical. Chemistry. Theoretical and Computational Chemistry. Chemistry. Chemistry, Physical and theoretical. Chemistry. Theoretical and Computational Chemistry. Balaban, Alexandru T. author. Chiriac, Adrian. author. Motoc, Ioan. author. Simon, Zeno. author. SpringerLink (Online service) Steric Fit in Quantitative Structure-Activity Relations [electronic resource] / |
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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. |
format |
Texto |
topic_facet |
Chemistry. Chemistry, Physical and theoretical. Chemistry. Theoretical and Computational Chemistry. |
author |
Balaban, Alexandru T. author. Chiriac, Adrian. author. Motoc, Ioan. author. Simon, Zeno. author. SpringerLink (Online service) |
author_facet |
Balaban, Alexandru T. author. Chiriac, Adrian. author. Motoc, Ioan. author. Simon, Zeno. author. SpringerLink (Online service) |
author_sort |
Balaban, Alexandru T. author. |
title |
Steric Fit in Quantitative Structure-Activity Relations [electronic resource] / |
title_short |
Steric Fit in Quantitative Structure-Activity Relations [electronic resource] / |
title_full |
Steric Fit in Quantitative Structure-Activity Relations [electronic resource] / |
title_fullStr |
Steric Fit in Quantitative Structure-Activity Relations [electronic resource] / |
title_full_unstemmed |
Steric Fit in Quantitative Structure-Activity Relations [electronic resource] / |
title_sort |
steric fit in quantitative structure-activity relations [electronic resource] / |
publisher |
Berlin, Heidelberg : Springer Berlin Heidelberg, |
publishDate |
1980 |
url |
http://dx.doi.org/10.1007/978-3-642-48316-5 |
work_keys_str_mv |
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_version_ |
1756269227679940608 |