Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

Meihua Tu, Brajesh K. Rai, Alan M. Mathiowetz, Mary Didiuk, Jeffrey A. Pfefferkorn, Angel Guzman-Perez, John Benbow, Cristiano R. W. GuimarĂ£es, Scot Mente, Matthew M. Hayward, Spiros Liras. Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template. Journal of Chemical Information and Computer Sciences, 52(5):1114-1123, 2012. [doi]

Abstract

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