Journal ArticleDOI
Rm values of phenols. Their relationship with log P values and activity.
TLDR
The experimental Rm values for a series of phenols were obtained by a reversed-phase TLC system and the extrapolation from a range of linear relationship between experimental RM values and acetone concentration provided a set of extrapolated Rmvalues used for studying the relationship between structure and activity in vitro and in vivo.Abstract:
The experimental Rm values for a series of phenols were obtained by a reversed-phase TLC system. The extrapolation from a range of linear relationship between experimental Rm values and acetone concentration provided a set of extrapolated Rm values. This were used for studying the relationship between structure and activity in vitro and in vivo. The possibility to obtain by means of the extrapolation technique the Rm values in a standard system for serveral series of chemotherapeutic agents is pointed out.read more
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Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
TL;DR: In this article, an extensive reparametrization of the atomic log P values and a detailed comparison of the performance of ALOGP and CLOGP methods on the Pomona Medchem database were presented.
Journal ArticleDOI
Fragrance Compounds and Essential Oils with Sedative Effects upon Inhalation
TL;DR: The results proved the sedative effects of these fragrants via inhalative exposure in low concentrations and contribute to the correct interpretation of the term aromatherapy.
Journal ArticleDOI
Chem-Bioinformatics and QSAR: A Review of QSAR Lacking Positive Hydrophobic Terms
Journal ArticleDOI
Evaluation of Dynamic Polar Molecular Surface Area as Predictor of Drug Absorption: Comparison with Other Computational and Experimental Predictors
Katrin Palm,Kristina Luthman,Anna-Lena Ungell,Gert Strandlund,Farideh Beigi,Per Lundahl,Per Artursson +6 more
TL;DR: The monolayer permeability of human intestinal Caco-2 cells to a series of nine beta-receptor-blocking agents was investigated in vitro and values for two new practolol analogues and H 216/44 were predicted from the structure-permeability relationships of a subset of the nine compounds and compared with experimental values.
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