Principal Component Analysis Coupled with Artificial Neural Networks—A Combined Technique Classifying Small Molecular Structures Using a Concatenated Spectral Database

In this paper we present several expert systems that predict the class identity of the modeled compounds, based on a preprocessed spectral database. The expert systems were built using Artificial Neural Networks (ANN) and are designed to predict if an unknown compound has the toxicological activity...

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Detalles Bibliográficos
Autores principales: Gosav, Steluţa, Praisler, Mirela, Birsa, Mihail Lucian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2011
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3211002/
https://www.ncbi.nlm.nih.gov/pubmed/22072911
http://dx.doi.org/10.3390/ijms12106668

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3211002/
https://www.ncbi.nlm.nih.gov/pubmed/22072911
http://dx.doi.org/10.3390/ijms12106668

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