New group contribution plugin for Celcius melting point

Hi Guys:

Following Noel's post:  http://baoilleach.blogspot.com/2012/03/it-all-adds-up-to-new-descriptor.html 

I've developed a melting point model that can be used in OpenBabel - test-set R2: 0.67, AAE: 43.6, and RMSE: 58.1 - see attached for plugin file.

Details can be found here: http://onschallenge.wikispaces.com/MeltingPointModel011

Thanks,

Andy

Andrew SID Lang

Professor of Mathematics

GC1E08

Oral Roberts University

Tulsa, OK

74171 

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