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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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Dettagli Bibliografici
Pubblicato in:Chem Sci
Autori principali: Mayr, Andreas, Klambauer, Günter, Unterthiner, Thomas, Steijaert, Marvin, Wegner, Jörg K., Ceulemans, Hugo, Clevert, Djork-Arné, Hochreiter, Sepp
Natura: Artigo
Lingua:Inglês
Pubblicazione: Royal Society of Chemistry 2018
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Accesso online: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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