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Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Datasets

Machine learning methods have been applied to many datasets 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 endpoints relev...

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Detalhes bibliográficos
Publicado no:Mol Pharm
Main Authors: Korotcov, Alexandru, Tkachenko, Valery, Russo, Daniel P, Ekins, Sean
Formato: Artigo
Idioma:Inglês
Publicado em: 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5741413/
https://ncbi.nlm.nih.gov/pubmed/29096442
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.molpharmaceut.7b00578
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