The role of different sampling methods in improving biological activity prediction using deep belief network

Thousands of molecules and descriptors are available for a medicinal chemist thanks to the technological advancements in different branches of chemistry. This fact as well as the correlation between them has raised new problems in quantitative structure activity relationship studies. Proper paramete...

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Veröffentlicht in:	Journal of computational chemistry 2017-02, Vol.38 (4), p.195-203
Hauptverfasser:	Ghasemi, Fahimeh, Fassihi, Afshin, Pérez‐Sánchez, Horacio, Mehri Dehnavi, Alireza
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Biological activity biological activity prediction Computer Simulation deep belief network deep neural network Drug Design initialization Mathematical problems Models, Theoretical Molecular chemistry Neural networks Neural Networks (Computer) Parameter estimation Quantitative Structure-Activity Relationship Random number sampling Statistical methods statistical modeling
Online-Zugang:	Volltext
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