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Neural Network Correction of PM3-Predicted Infrared Spectra

โœ Scribed by Barden, C.J.; Boysworth, M.K.; Palocsay, F.A.


Book ID
120561344
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
94 KB
Volume
38
Category
Article
ISSN
0095-2338

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A Pascal program for the sunulatlon of artlficlal neural networks, was mplemented on a PC For mterpretatlon of Infrared (IR) spectra by means of a neural network, a back propagation model with one hidden layer and a s-id transfer fun&on has been proved to be the best of several network types The ful