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Computational neural network analysis of the affinity of lobeline and tetrabenazine analogs for the vesicular monoamine transporter-2

Back-propagation artificial neural networks (ANNs) were trained on a dataset of 104 VMAT2 ligands with experimentally measured log(1/K(i)) values. A set of related descriptors, including topological, geometrical, GETAWAY, aromaticity, and WHIM descriptors was selected to build nonlinear quantitative...

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Bibliografiske detaljer
Main Authors: Zheng, Fang, Zheng, Guangrong, Deaciuc, A. Gabriela, Zhan, Chang-Guo, Dwoskin, Linda P., Crooks, Peter A.
Format: Artigo
Sprog:Inglês
Udgivet: 2007
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2001191/
https://ncbi.nlm.nih.gov/pubmed/17331733
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2007.02.013
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