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      Neural networks for secondary structure and structural class predictions.

      Protein Science : A Publication of the Protein Society
      Algorithms, Amino Acid Sequence, Neural Networks (Computer), Protein Folding, Protein Structure, Secondary, Protein Structure, Tertiary

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          Abstract

          A pair of neural network-based algorithms is presented for predicting the tertiary structural class and the secondary structure of proteins. Each algorithm realizes improvements in accuracy based on information provided by the other. Structural class prediction of proteins nonhomologous to any in the training set is improved significantly, from 62.3% to 73.9%, and secondary structure prediction accuracy improves slightly, from 62.26% to 62.64%. A number of aspects of neural network optimization and testing are examined. They include network overtraining and an output filter based on a rolling average. Secondary structure prediction results vary greatly depending on the particular proteins chosen for the training and test sets; consequently, an appropriate measure of accuracy reflects the more unbiased approach of "jackknife" cross-validation (testing each protein in the data-base individually).

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          Author and article information

          Journal
          7757016
          2143056
          10.1002/pro.5560040214

          Chemistry
          Algorithms,Amino Acid Sequence,Neural Networks (Computer),Protein Folding,Protein Structure, Secondary,Protein Structure, Tertiary

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