Proceedings of the Conference on Chemical Structure-Biological Activity Relationships: Quantitative Approaches Prague, Czechoslovakia 27 to 29 June, 1973
Proceedings of the Conference on Chemical Structure-Biological Activity Relationships: Quantitative Approaches Prague, Czechoslovakia 27 to 29 June, 1973
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Inhaltsangabe
Mathematical Empirical Models of Free Wilson Type, Four-Parameter Equation and Related Topics, Hansch Approach.- Quantum Pharmacology and Quantitative Structure-Activity Relationships: A Brief Review.- On the Parabolic Relationship Between Biological Activity and Hydrophobicity of Drugs: Transport or Protein Binding?.- Quantitation of Chemical and Biological Effects in Steroids by Hansch-Type and Molecular Orbital Calculations.- In Vitro Dissolution Rate as a Parameter in Structure-Activity Studies.- Substructural Analysis in Drug Design.- Stucture-Activity Relationships in a Series of Cinnamic Acids in the Stabilizing Action on Erythrocyte Membrane.- Relationship Between R M Values from Paper Chromatography and Partition Coefficients of Dissociable Compounds.- The Influence of Lipophilicity on the Antibacterial Activity of Rifamycins.- Hansch Analysis in a Series of Substances with Antifungal Activity.- Lipophilicity of Isothiocyanates as a Criterion of their Antimicrobial Spectrum.- The Prediction of New Biologically Active Compounds Using Physicochemical Properties-Activity Relations.- Use of Structure-Activity Relationships to Estimate Toxicity of Inorganic Cations.- Statistical Approaches in Fitting Models.- Some Comments on Possible Types of Analogy Models in the Study of Relations Between Chemical Structure and Biological Activity.- Correlations Between Various Physico-Chemical Properties and Biological Activities.- Correlation Between Physico-Chemical Properties of Chemical Compounds and Indices of their Toxic Action: Use for Prediction.- Relationships Between Some Biological and Physico-Chemical Properties in a Series of Derivatives of Trimepranol [1-(2,3,5-Trimethyl-4-Acetoxyphenoxy)-3-Isopropylaminopropane-2-OL].- Structure-Activity Correlations in aHomologous Series of 2-Substituted Isonicotinic Acid Hydrazides.- Substituent Effects on the Algicidal Activity of Phenyl Thiolacetates.- Interaction of Foreign Compounds with Hemiproteins and Isolated Ferriprotoheme.- Structure-Toxicity Relationships.- Interdependence of Various Types of Pharmacological Activity in Case of Some 4H-Pyrido (1, 2a) Pyrimidine Derivatives.- Structural Dependence of Epileptogenic Action of Penicillins.- Correlations Between Electronic Indices from M.O. Calculations and Biological Activities.- Molecular Orbital Predictions of Properties Influencing Biological Phenomena.- Chemical Structure-Biological Activity Relationships in the Phenoxyacetic Acid Series.- Correlation Between Pharmacological Activity Indices and Quantum Chemical Indices of Some Phenylethylamine Derivatives.- Correlation Between Electronic Indices from Molecular Orbital Calculations and Antiradiation Activity of Thiazolidines.- An Investigation of the Possible Relationship Between Electronic Structure and Antirheumatic Activity in the Hydroxybenzoic Acids.- CNDO/2 Study of the Conformational Properties of the Tricyclic Antidepressants.- Theoretical Studies of Thyroid Hormone Analogs.- A Semi-Empirical Study of the Structural Effects of Ionic Defect Formation in a Model ?-Helical System.- AB INITIO Molecular Orbital Studies in Quantum Biology. Electronic Characteristics of Indole and Benzofuran.- The Application of Hückel Molecular Orbital Calculations to Study of Antituberculotic Activity of Thioamides.- Discussion of the Most Significant Characteristics Used in the Correlations in Terms of a Theoretical Approach.- Calculations of Henry Constants and Partition Coefficients Using Quantum Chemical Approach.- Relationships Among Activity Coefficients, Partition Coefficientsand Solubilities.- Binding of Small Molecules to Sephadex G-10 as a Model Surface. Correlations with Extrathermodynamic Parameters.- Correlations Between Dipole Moments and Biological Activities of Cardiotonic Steroids.
Mathematical Empirical Models of Free Wilson Type, Four-Parameter Equation and Related Topics, Hansch Approach.- Quantum Pharmacology and Quantitative Structure-Activity Relationships: A Brief Review.- On the Parabolic Relationship Between Biological Activity and Hydrophobicity of Drugs: Transport or Protein Binding?.- Quantitation of Chemical and Biological Effects in Steroids by Hansch-Type and Molecular Orbital Calculations.- In Vitro Dissolution Rate as a Parameter in Structure-Activity Studies.- Substructural Analysis in Drug Design.- Stucture-Activity Relationships in a Series of Cinnamic Acids in the Stabilizing Action on Erythrocyte Membrane.- Relationship Between R M Values from Paper Chromatography and Partition Coefficients of Dissociable Compounds.- The Influence of Lipophilicity on the Antibacterial Activity of Rifamycins.- Hansch Analysis in a Series of Substances with Antifungal Activity.- Lipophilicity of Isothiocyanates as a Criterion of their Antimicrobial Spectrum.- The Prediction of New Biologically Active Compounds Using Physicochemical Properties-Activity Relations.- Use of Structure-Activity Relationships to Estimate Toxicity of Inorganic Cations.- Statistical Approaches in Fitting Models.- Some Comments on Possible Types of Analogy Models in the Study of Relations Between Chemical Structure and Biological Activity.- Correlations Between Various Physico-Chemical Properties and Biological Activities.- Correlation Between Physico-Chemical Properties of Chemical Compounds and Indices of their Toxic Action: Use for Prediction.- Relationships Between Some Biological and Physico-Chemical Properties in a Series of Derivatives of Trimepranol [1-(2,3,5-Trimethyl-4-Acetoxyphenoxy)-3-Isopropylaminopropane-2-OL].- Structure-Activity Correlations in aHomologous Series of 2-Substituted Isonicotinic Acid Hydrazides.- Substituent Effects on the Algicidal Activity of Phenyl Thiolacetates.- Interaction of Foreign Compounds with Hemiproteins and Isolated Ferriprotoheme.- Structure-Toxicity Relationships.- Interdependence of Various Types of Pharmacological Activity in Case of Some 4H-Pyrido (1, 2a) Pyrimidine Derivatives.- Structural Dependence of Epileptogenic Action of Penicillins.- Correlations Between Electronic Indices from M.O. Calculations and Biological Activities.- Molecular Orbital Predictions of Properties Influencing Biological Phenomena.- Chemical Structure-Biological Activity Relationships in the Phenoxyacetic Acid Series.- Correlation Between Pharmacological Activity Indices and Quantum Chemical Indices of Some Phenylethylamine Derivatives.- Correlation Between Electronic Indices from Molecular Orbital Calculations and Antiradiation Activity of Thiazolidines.- An Investigation of the Possible Relationship Between Electronic Structure and Antirheumatic Activity in the Hydroxybenzoic Acids.- CNDO/2 Study of the Conformational Properties of the Tricyclic Antidepressants.- Theoretical Studies of Thyroid Hormone Analogs.- A Semi-Empirical Study of the Structural Effects of Ionic Defect Formation in a Model ?-Helical System.- AB INITIO Molecular Orbital Studies in Quantum Biology. Electronic Characteristics of Indole and Benzofuran.- The Application of Hückel Molecular Orbital Calculations to Study of Antituberculotic Activity of Thioamides.- Discussion of the Most Significant Characteristics Used in the Correlations in Terms of a Theoretical Approach.- Calculations of Henry Constants and Partition Coefficients Using Quantum Chemical Approach.- Relationships Among Activity Coefficients, Partition Coefficientsand Solubilities.- Binding of Small Molecules to Sephadex G-10 as a Model Surface. Correlations with Extrathermodynamic Parameters.- Correlations Between Dipole Moments and Biological Activities of Cardiotonic Steroids.
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