On the topological evidences for modelling lipophilicity.
Topological evidences for modelling lipophilicity of a large series of diversed compounds have been provided on the basis of distance-based topological indices. A pool of topological indices along with indicator parameters related to the type of the compounds present in the set of 140 compounds were used for this purpose. The results have shown that topology as well as the type of compounds are the responsible parameters for modelling lipophilicity.
Agrawal
Vijay K
VK
QSAR and Chemical Laboratories, A.P.S. University, Rewa, India. vijay-agrawal@lycos.com
Singh
Jyoti
J
Khadikar
Padmakar V
PV
D057927:Hydrophobic and Hydrophilic Interactions; D008958:Models, Molecular; D009930:Organic Chemicals / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis
D009930:Organic Chemicals