Correlations between the benzene character of acenes or helicenes and simple molecular descriptors.

Bioorg Med Chem Lett

Research Division, Laxmi Fumigation and Pest Control (P) Ltd, 3 Khatipura, Indore 452 007, India.

Published: March 2004

Aromatic stabilities of acenes and helicenes, which are responsible for their biological, environmental and cancerous behavior have been modeled using a newly introduced Sadhana (Sd) and A indices. The results are compared with those obtained from PI (Padmakar-Ivan) index. The regression analysis has shown that excellent results are obtained by considering acenes and helicenes as separate classes of isomeric benzenoid hydrocarbons and that A index is better index than both PI and Sd indices.

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http://dx.doi.org/10.1016/j.bmcl.2003.12.062DOI Listing

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