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11.
Sadhana A New Cyclic Index for QSPR / QSAR / QSTR: A Case of
Polyacenes
Sufia Aziz1, Anju Das Manikpuri 2, Padmakar
V. Khadikar 3 *
1 Department of Applied Sciences (Mathematics), Institute of
Engineering and
Technology, DAVV, Khandwa Road, Indore, India e-mail:
sufiaaziz@yahoo.com
2 Department of Engg.Chemistry, Sanghvi Innovative Academy of
Engineering and
Technology, Gram -Kanadia, Indore, India
e-mail:
anju.dm@rediffmail.com
3 * Research Division, Laxmi Fumigation and Pest Control, Pvt.
Ltd.,3 , Khatipura,, Indore 452 007, India,
e-mail:
pvkhadikar@rediffmail.com
Abstract:
General formulae for the estimation of the Sd (Sadhana) index of
polyacenes are reported in this paper. The Sd index is newly
proposed molecular-graph-distance-based structural descriptors.
Computation of this index will help in solving problem related
to carbon-nanotubes as well as resolving
structural-property-toxicity (QSPR/QSAR/QSTR) relationships for
polyacenes.
Keywords: polyacenes, Sadhana index, PI index, hexagonal chin.
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