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Deep architectures and deep learning in chemoinformatics: the prediction of aqueous solubility for drug-like molecules

Shallow machine learning methods have been applied to chemoinformatics problems with some success. As more data becomes available and more complex problems are tackled, deep machine learning methods may also become useful. Here we present a brief overview of deep learning methods and show in particu...

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書誌詳細
主要な著者: Lusci, Alessandro, Pollastri, Gianluca, Baldi, Pierre
フォーマット: Artigo
言語:Inglês
出版事項: 2013
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC3739985/
https://ncbi.nlm.nih.gov/pubmed/23795551
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400187y
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