Quantitative Structure-Activity Relationships: Proceedings of the Conference on Chemical Structure—Biological Activity Relationships: Quantitative Approaches Prague, Czechoslovakia 27 to 29 June, 1973

Front Matter....Pages 1-10
Front Matter....Pages 11-11
Quantum Pharmacology and Quantitative Structure-Activity Relationships: A Brief Review....Pages 13-23
On the Parabolic Relationship Between Biological Activity and Hydrophobicity of Drugs: Transport or Protein Binding?....Pages 25-30
Quantitation of Chemical and Biological Effects in Steroids by Hansch-Type and Molecular Orbital Calculations....Pages 31-35
 In Vitro Dissolution Rate as a Parameter in Structure-Activity Studies....Pages 37-40
Substructural Analysis in Drug Design....Pages 41-44
Stucture-Activity Relationships in a Series of Cinnamic Acids in the Stabilizing Action on Erythrocyte Membrane....Pages 45-47
Relationship Between R M Values from Paper Chromatography and Partition Coefficients of Dissociable Compounds....Pages 49-51
The Influence of Lipophilicity on the Antibacterial Activity of Rifamycins....Pages 53-57
Hansch Analysis in a Series of Substances with Antifungal Activity....Pages 59-63
Lipophilicity of Isothiocyanates as a Criterion of their Antimicrobial Spectrum....Pages 65-77
The Prediction of New Biologically Active Compounds Using Physicochemical Properties-Activity Relations....Pages 79-82
Use of Structure-Activity Relationships to Estimate Toxicity of Inorganic Cations....Pages 83-84
Front Matter....Pages 85-85
Some Comments on Possible Types of Analogy Models in the Study of Relations Between Chemical Structure and Biological Activity....Pages 87-96
Front Matter....Pages 97-97
Correlation Between Physico-Chemical Properties of Chemical Compounds and Indices of their Toxic Action: Use for Prediction....Pages 99-113
Relationships Between Some Biological and Physico-Chemical Properties in a Series of Derivatives of Trimepranol [1-(2,3,5-Trimethyl-4-Acetoxyphenoxy)—3- Iso propylaminopropane-2-OL]....Pages 115-117
Structure-Activity Correlations in a Homologous Series of 2-Substituted Isonicotinic Acid Hydrazides....Pages 119-124
Substituent Effects on the Algicidal Activity of Phenyl Thiolacetates....Pages 125-129
Interaction of Foreign Compounds with Hemiproteins and Isolated Ferriprotoheme....Pages 131-134
Structure-Toxicity Relationships....Pages 135-142
Interdependence of Various Types of Pharmacological Activity in Case of Some 4H-Pyrido (1, 2a) Pyrimidine Derivatives....Pages 143-144
Front Matter....Pages 97-97
Structural Dependence of Epileptogenic Action of Penicillins....Pages 145-148
Front Matter....Pages 149-149
Molecular Orbital Predictions of Properties Influencing Biological Phenomena....Pages 151-160
Chemical Structure-Biological Activity Relationships in the Phenoxyacetic Acid Series....Pages 161-164
Correlation Between Pharmacological Activity Indices and Quantum Chemical Indices of Some Phenylethylamine Derivatives....Pages 165-170
Correlation Between Electronic Indices from Molecular Orbital Calculations and Antiradiation Activity of Thiazolidines....Pages 171-175
An Investigation of the Possible Relationship Between Electronic Structure and Antirheumatic Activity in the Hydroxybenzoic Acids....Pages 177-183
CNDO/2 Study of the Conformational Properties of the Tricyclic Antidepressants....Pages 185-191
Theoretical Studies of Thyroid Hormone Analogs....Pages 193-197
A Semi-Empirical Study of the Structural Effects of Ionic Defect Formation in a Model α-Helical System....Pages 199-203
 AB INITIO Molecular Orbital Studies in Quantum Biology. Electronic Characteristics of Indole and Benzofuran....Pages 205-209
The Application of Hückel Molecular Orbital Calculations to Study of Antituberculotic Activity of Thioamides....Pages 211-214
Front Matter....Pages 215-215
Calculations of Henry Constants and Partition Coefficients Using Quantum Chemical Approach....Pages 217-230
Relationships Among Activity Coefficients, Partition Coefficients and Solubilities....Pages 231-240
Binding of Small Molecules to Sephadex G-10 as a Model Surface. Correlations with Extrathermodynamic Parameters....Pages 241-247
Correlations Between Dipole Moments and Biological Activities of Cardiotonic Steroids....Pages 249-254
Back Matter....Pages 255-265