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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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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2013
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| Soggetti: | |
| Accesso online: | 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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