In This paper, I used different topological indices for modeling of lipophilicity of a series of alcohols. A wide variety of indices like the Weiner(W), The Padmakar Iwan (PI) index, Kier and Hall valence connectivity indices , Randic connectivity indices and Balaban and Balaban type indices were used for obtaining statistically significant model. The statistically significant models are governed by a variety of statistical parameters .The regression analysis has shown that out of pool of topological indices used, the topological indices W and PI in combination with connectivity indices given an excellent result. The results indicate that lipophilicity of given series of alcohols can be successfully modeled by using topological indice...
Lipophilicity is one of the most frequently used physicochemical properties that affects compound so...
Needs for fast, yet reliable means of assessing the lipophilicities of diverse compounds resulted in...
1 hA modification of topological index ( χ) was proposed. This modification consist in corn 1 h the...
QSAR and Computer Chemical Laboratories, A. P. S. University, Rewa-486 003, Madhya Pradesh, India E...
In QSAR/QSPR study, topological indices are utilized to guess the bioactivity of chemical compounds....
The quantitative Structure-Aciivity Relationship (QSAR) was performed for a set of 25 hydroxylated ...
Some new topological indices based on the distance matrix and Randic connectivity (as graph invarian...
A study of the quantitative structure-property and structure-activity relationship QSPR/QSAR is pres...
Abstract. The present work establishes a quantitative structure-property relationship (QSPR) between...
The semi-empirical topological index, previously developed by Heinzen and Yunes, has been applied to...
In this paper we describe the application in QSPR/QSAR studies of a newgroup of molecular descriptor...
10 topological indicators of molecular similarity derived from cluster analysis, and based on binary...
From the G(a,b,c) matrix at least 20 groups of topological indices can be derived. Each of these gro...
The present work establishes a quantitative structure-property relationship (QSPR) between top¬ochem...
The log P descriptor, despite its usefulness, can be difficult to use, especially for researchers la...
Lipophilicity is one of the most frequently used physicochemical properties that affects compound so...
Needs for fast, yet reliable means of assessing the lipophilicities of diverse compounds resulted in...
1 hA modification of topological index ( χ) was proposed. This modification consist in corn 1 h the...
QSAR and Computer Chemical Laboratories, A. P. S. University, Rewa-486 003, Madhya Pradesh, India E...
In QSAR/QSPR study, topological indices are utilized to guess the bioactivity of chemical compounds....
The quantitative Structure-Aciivity Relationship (QSAR) was performed for a set of 25 hydroxylated ...
Some new topological indices based on the distance matrix and Randic connectivity (as graph invarian...
A study of the quantitative structure-property and structure-activity relationship QSPR/QSAR is pres...
Abstract. The present work establishes a quantitative structure-property relationship (QSPR) between...
The semi-empirical topological index, previously developed by Heinzen and Yunes, has been applied to...
In this paper we describe the application in QSPR/QSAR studies of a newgroup of molecular descriptor...
10 topological indicators of molecular similarity derived from cluster analysis, and based on binary...
From the G(a,b,c) matrix at least 20 groups of topological indices can be derived. Each of these gro...
The present work establishes a quantitative structure-property relationship (QSPR) between top¬ochem...
The log P descriptor, despite its usefulness, can be difficult to use, especially for researchers la...
Lipophilicity is one of the most frequently used physicochemical properties that affects compound so...
Needs for fast, yet reliable means of assessing the lipophilicities of diverse compounds resulted in...
1 hA modification of topological index ( χ) was proposed. This modification consist in corn 1 h the...