Towards Intelligent Drug Design System: Application of Artificial Dipeptide Receptor Library in QSAR-Oriented Studies

Towards Intelligent Drug Design System: Application of Artificial Dipeptide Receptor Library in QSAR-Oriented Studies

The pharmacophore properties of a new series of potential purinoreceptor (P2X) inhibitors determined using a coupled neural network and the partial least squares method with iterative variable elimination (IVE-PLS) are presented in a ligand-based comparative study of the molecular surface by compara...

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Bibliographic Details
Main Authors: Andrzej Bak, Violetta Kozik, Malgorzata Walczak, Justyna Fraczyk, Zbigniew Kaminski, Beata Kolesinska, Adam Smolinski, Josef Jampilek
Format: Article
Language:English
Published: MDPI AG 2018-08-01
Series:Molecules
Subjects:
artificial dipeptide library
PX2 inhibitors
IVE-PLS
CoMSA
stochastic model validation
Online Access:http://www.mdpi.com/1420-3049/23/8/1964

Internet

http://www.mdpi.com/1420-3049/23/8/1964

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