摘要:

AbstractThe LOGANA procedure described in part 1 of this series is applied to a set of antimalarials as a test case. Its principle consists in the stepwise combination of binary descriptors characterizing the presence or absence of substructural features into conjunctions using the logical operator “and”, such that the structural patterns described by these conjunctions are typical of the class of high activity compounds. Clear substructural patterns for antimalarial activity are obtained which are consistent with corresponding Hansch equations taken from the literat

ISSN:0931-8771    

DOI:10.1002/qsar.19850040202

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY

摘要:

AbstractThe LOCON procedure described in the first part of this series is applied to a set of antimalarials as a test case. Its principle consists in the stepwise evaluation of conjunctions such that sets of compounds characterized by these conjunctions have high mean values of biological activity. The conjunctions are obtained from binary descriptors which characterize the presence or absence of predefined substructural features using the logical operator “and”. Clear substructural patterns typical of the highly active compounds are obtained which supplement the LOGANA results presented in Part 2 of this series. There is very good agreement with corresponding Hansch equations taken from the literature so that similar predictions result from both approac

ISSN:0931-8771    

DOI:10.1002/qsar.19850040203

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY

摘要:

AbstractA number of papers have recently appeared investigating interactions between substituents on aromatic rings, in particular their lack of additivity in terms of hydrophobic constants. In the present study, chromatographic capacity factors (log kwi.e. extrapolated to 100% water composition of the mobile phase) obtained from reversed‐phase high‐performance liquid chromatography (RP‐HPLC) are reported. For the exploration of functional group interactions these values provide a more consistent and precise data set than logP values collected in the literature. A series of 43 disubstituted benzenes was investigated. Substituent interactions are expressed in terms of a previously reported hydration factor ω and the general equation derived is log k wexp= log k wadd+ mw· ω, where mw, is a multiplicity factor having an integer value. The physical background of the term mw· ω is discussed by considering the number of water molecules involved in the partit

ISSN:0931-8771    

DOI:10.1002/qsar.19850040204

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY

摘要:

AbstractThe relations between isotoxic concentration, the disposition function (the latter relating the concentration of a drug in the receptor region to the initial external concentration) as well as equilibrium and rate characteristics of the drug‐receptor interaction are derived using mass action law for three types of the drug‐receptor interactions (noncovalent interaction, covalent bond, noncovalent interaction followed by covalent bond formation). The results are shown to be consistent with the Hansch equation in most cases, exceptions being discus

ISSN:0931-8771    

DOI:10.1002/qsar.19850040205

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY

ISSN:0931-8771    

DOI:10.1002/qsar.19850040206

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY

ISSN:0931-8771    

DOI:10.1002/qsar.19850040207

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY

ISSN:0931-8771    

DOI:10.1002/qsar.19850040201

出版商:WILEY‐VCH Verlag    

年代:1985

数据来源: WILEY