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Large-scale comparison of machine learning methods for drug target prediction on ChEMBL

Deep learning is currently the most successful machine learning technique in a wide range of application areas and has recently been applied successfully in drug discovery research to predict potential drug targets and to screen for active molecules. However, due to (1) the lack of large-scale studi...

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Publicat a:Chem Sci
Autors principals: Mayr, Andreas, Klambauer, Günter, Unterthiner, Thomas, Steijaert, Marvin, Wegner, Jörg K., Ceulemans, Hugo, Clevert, Djork-Arné, Hochreiter, Sepp
Format: Artigo
Idioma:Inglês
Publicat: Royal Society of Chemistry 2018
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6011237/
https://ncbi.nlm.nih.gov/pubmed/30155234
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc00148k
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