Vijay K. Agrawal, Madhu Gupta, Jyoti Singh, Padmakar V. Khadikar, “A novel method of estimation of lipophilicity using distance-based topological indices: dominating role of equalized electronegativity”, Bioorganic & Medicinal Chemistry, 13, № 6, 2005, 2109
Felix Hammann, Heike Gutmann, Ulli Baumann, Christoph Helma, Juergen Drewe, “Classification of Cytochrome P450 Activities Using Machine Learning Methods”, Mol. Pharmaceutics, 6, № 6, 2009, 1920
F. Arjmand, F. Shafiei, “Prediction of the Normal Boiling Points and Enthalpy of Vaporizations of Alcohols and Phenols Using Topological Indices”, J Struct Chem, 59, № 3, 2018, 748
Padmakar V. Khadikar, Vimukta Sharma, R.G. Varma, “Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor”, Bioorganic & Medicinal Chemistry Letters, 15, № 2, 2005, 421
V. K. Agrawal, S. Karmarkar, P. V. Khadikar, “QSAR Study on Binding Affinity of PATs (Rodenticides) to the [3H]-Mepyramine-Labelled H1Receptor In Rat and Guinea Pig Brain”, SAR and QSAR in Environmental Research, 12, № 6, 2001, 529
Padmakar V. Khadikar, Vijay K. Agrawal, Sneha Karmarkar, “Prediction of lipophilicity of polyacenes using quantitative structure–Activity relationships”, Bioorganic & Medicinal Chemistry, 10, № 11, 2002, 3499
Milan Randić, “On Characterization of Chemical Structure”, J. Chem. Inf. Comput. Sci., 37, № 4, 1997, 672
Vijay K. Agrawal, Meghna Banerji, Madhu Gupta, Jyoti Singh, Padmakar V. Khadikar, Claudiu T. Supuran, “QSAR study on carbonic anhydrase inhibitors: water-soluble sulfonamides incorporating β-alanyl moieties, possessing long lasting-intra ocular pressure lowering properties—a molecular connectivity approach”, European Journal of Medicinal Chemistry, 40, № 10, 2005, 1002
Padmakar V Khadikar, Sadanand V Pathre, Anjali Shrivastava, “Structural assignment of 2,6- and 2,7-disubstituted naphthalenes and prediction of 13C nuclear magnetic resonance chemical shifts: applications of topology and two-dimensional NMR spectroscopy”, Bioorganic & Medicinal Chemistry Letters, 12, № 19, 2002, 2673
Vijay K. Agrawal, Jyoti Singh, Padmakar V. Khadikar, “On the topological evidences for modelling lipophilicity”, Bioorganic & Medicinal Chemistry, 10, № 12, 2002, 3981