QSAR study on bioconcentration factor (BCF) of polyhalogented biphenyls using the PI index.
Attempt has been made to estimate the accuracy, predictive power, and domain of application of the PI (Padmakar-Ivan) index for modeling bioconcentration factor (BCF) of polyhalogenated biphenyls. Relative potential of PI index is investigated by comparing the results obtained using this index with those obtained from Wiener (W) and Szeged (Sz) indices. In addition, attempt has also been made to model hydrophobicity/lipophilicity (logP) of the polyhalogenated biphenyls using these indices. It was observed that these distance-based topological indices gave better results for modeling log BCF than logP.
Khadikar
Padmakar V
PV
Research Division, Laxmi Fumigation & Pest Control Pvt. Ltd., 3 Khatipura, Indore 452007, India.
Singh
Shalini
S
Mandloi
Dheeraj
D
Joshi
Sheela
S
Bajaj
Amrit V
AV
D001713:Biphenyl Compounds / Q000737:chemistry* / Q000494:pharmacology*; D008956:Models, Chemical; D021281:Quantitative Structure-Activity Relationship
D001713:Biphenyl Compounds