A Simple Model‐Based Function for Description of Non‐Linear Bioactivity‐Hydrophobicity Profiles
作者:
ŠTefan Baláž,
Michael Wiese,
Joachim K. Seydel,
期刊:
Quantitative Structure‐Activity Relationships
(WILEY Available online 1992)
卷期:
Volume 11,
issue 1
页码: 45-49
ISSN:0931-8771
年代: 1992
DOI:10.1002/qsar.19920110108
出版商: WILEY‐VCH Verlag
关键词: bioactivity‐hydrophobicity profile;drug disposition;convex dependencies – a mathematical description;model‐based equation
数据来源: WILEY
摘要:
AbstractA novel description of the relationship between bioactivity and hydrophobicity, log(1/ic) = AlogP – BP+const (ic is the isoeffective concentration and P is the partition coefficient) is derived from a model for drug disposition. The function fits experimental bioactivity‐hydrophobicity profiles with a linear ascending part and a sudden drop in bioactivity after reaching the break‐point equally well as the bilinear equation and better than parabola. Due to its simplicity and fast optimization of the adjustable parameters by linear regression analysis the function is especially suitable for the use in multivariable m
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