Topological Descriptors Based Quantitative Structure Activity Relationship Study of Aromatic Amines (Biphenylamines)
Journal of Chemical Biological and Physical Sciences · 2018
QSAR study of 15 biphenylamines derivatives whose carcinogenic activity are reported in terms of log P has been made.QSAR models have been developed with the help of descriptors, connectivity index, valence connectivity index, shape index, molecular weight, accessibility surface area and molar refractivity.Seven models have been found to have high degree of predictive power with regression coefficient above 0.8034.The combination of descriptors providing the best models are log P, connectivity index, valence connectivity index and solvent accessibility area.