Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery

Quantitative structure–activity relationship modeling using machine learning techniques constitutes a complex computational problem, where the identification of the most informative molecular descriptors for predicting a specific target property plays a critical role. Two main general approaches can...

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Gepubliceerd in:Sci Rep
Hoofdauteurs: Ponzoni, Ignacio, Sebastián-Pérez, Víctor, Requena-Triguero, Carlos, Roca, Carlos, Martínez, María J., Cravero, Fiorella, Díaz, Mónica F., Páez, Juan A., Arrayás, Ramón Gómez, Adrio, Javier, Campillo, Nuria E.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Nature Publishing Group UK 2017
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Article
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5445096/
https://ncbi.nlm.nih.gov/pubmed/28546583
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-02114-3
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