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Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
2017
Molecular Pharmaceutics
Machine learning methods have been applied to many data sets in pharmaceutical research for several decades. The relative ease and availability of fingerprint type molecular descriptors paired with Bayesian methods resulted in the widespread use of this approach for a diverse array of end points relevant to drug discovery. Deep learning is the latest machine learning algorithm attracting attention for many of pharmaceutical applications from docking to virtual screening. Deep learning is based
doi:10.1021/acs.molpharmaceut.7b00578
pmid:29096442
pmcid:PMC5741413
fatcat:cd6rwu46ljh5nkiloyiw6hpx5q