Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.
Lars CarlssonOla SpjuthSamuel E. AdamsRobert C. GlenScott BoyerPublished in: BMC Bioinform. (2010)
Keyphrases
- image data
- data sets
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- noisy data
- training data
- data distribution
- application domains
- synthetic data
- raw data
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- neural network
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- historical data
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- computer systems
- database
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- small number
- machine learning