hansch analysis
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2019 ◽  
Author(s):  
Ján Labuda ◽  
Richard P. Bowater ◽  
Miroslav Fojta ◽  
Günter Gauglitz ◽  
Zdeněk Glatz ◽  
...  
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2016 ◽  
Vol 16 (2) ◽  
pp. 143-151 ◽  
Author(s):  
Ashish Pathak ◽  
Pradeep K. Singour ◽  
Amit K. Srivastava ◽  
Panchanan Gouda ◽  
Sunil Kumar ◽  
...  
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2012 ◽  
Vol 31 (6-7) ◽  
pp. 503-507 ◽  
Author(s):  
Nadine Schneider ◽  
Robert Klein ◽  
Gudrun Lange ◽  
Matthias Rarey

2012 ◽  
Vol 2 (3) ◽  
pp. 435-442 ◽  
Author(s):  
Yvonne Connolly Martin
Keyword(s):  

2011 ◽  
Vol 21 (5) ◽  
pp. 672-680 ◽  
Author(s):  
Ashish Khare ◽  
Shashank Trivedi ◽  
H. Rajak ◽  
R. S. Pawar ◽  
U. K. Patil ◽  
...  

2010 ◽  
Vol 20 (7) ◽  
pp. 826-837 ◽  
Author(s):  
Vikramjeet Judge ◽  
Rakesh Narang ◽  
Deepika Sharma ◽  
Balasubramanian Narasimhan ◽  
Pradeep Kumar

2010 ◽  
Vol 3 (1) ◽  
pp. 48-54
Author(s):  
Iqmal Tahir ◽  
Karna Wijaya ◽  
Bambang Purwono ◽  
Dinni Widianingsih

Quantitative Structure-Activity Relationship (QSAR) analysis of substituted flavone / flavonol compounds has been carried out by applying Hansch Analysis using their physicochemical properties as the predictors. The properties i.e. log P, (log P)2, core-core interaction energy (Eint), volume (V), molecular mass (M), dipole moment (μ), heat of formation (ΔHof), binding energy (Ei), total energy (ET), surface area (L), polarizability (α), molar refractivity (RM), hidration energy (EH), electronic energy (Eel) and isolated atomic energy (Eat,is), were obtained on the basis of geometry optimization using PM3 semiempirical method. The QSAR analysis used antiradical activities (% A) as the dependent variable and has been done by applying multilinear regression technique. The result showed that QSAR equations i.e. % A  =  77.426 - 67.343  [log P] + 3.160 [(log P)2 + 67.884 [α] + 6.63x10-4 [ Eint] - 5.280 [L] + 1.179 [V] + 0.447 [M] - 11.000 [μ]  + 0.093 [Ei]  + 3.433 [EH] - 3.44x10-3 [ET] (n = 16 ; r2 = 0.987 ; SD = 9.205; Fcal/Ftable = 4.797)   Keywords: QSAR, antiradical, flavone, flavonol


2009 ◽  
Vol 44 (5) ◽  
pp. 1853-1863 ◽  
Author(s):  
Pradeep Kumar ◽  
Balasubramanian Narasimhan ◽  
Deepika Sharma ◽  
Vikramjeet Judge ◽  
Rakesh Narang

2009 ◽  
Vol 44 (2) ◽  
pp. 689-700 ◽  
Author(s):  
Balasubramanian Narasimhan ◽  
Sucheta Ohlan ◽  
Ruchita Ohlan ◽  
Vikramjeet Judge ◽  
Rakesh Narang

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