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Letters in Drug Design & Discovery


ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

Quantitative Structure Activity Relationship of Indole-Carbaldehyde Derivatives as Cannabinoid Receptor 2 Agonists

Author(s): S. Rituparna, S. K. Mahmood and M. Ravikumar

Volume 6, Issue 8, 2009

Page: [599 - 619] Pages: 21

DOI: 10.2174/157018009789353473

Price: $65


QSAR has been established for 73 Indole-carbaldehyde derivatives acting as Cannabinoid receptor 2 agonists. The best model was developed using six descriptors from topological, thermodynamic, spatial and electrotopological class. The model had r2 value of 0.888, PRESS value of 7.825, XV r2 value of 0.841 and test set correlation value 0.881.

Keywords: Cannabinoid receptor 2, GPCR, QSAR, Indole-carbaldehyde derivatives, Agonists, Correlation coefficient (r2)

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