CPANNatNIC software for counter-propagation neural network to assist in read-across

Journal of Cheminformatics
V DrganMarjana Novič

Abstract

CPANNatNIC is software for development of counter-propagation artificial neural network models. Besides the interface for training of a new neural network it also provides an interface for visualisation of the results which was developed to aid in interpretation of the results and to use the program as a tool for read-across. The work presents the details of the program's interface. Parts of the interface are presented and how they can be used. The examples provided show how the user can build a new model and view the results of predictions using the interface. Examples are given to show how the software may be used in read-across. CPANNatNIC provides a simple user interface for model development and visualisation. The interface implements options which may simplify read-across procedure. Statistical results show better prediction accuracy of read-across predictions than model predictions where similar compounds could be identified, which indicates the importance of using read-across and usefulness of the program.

References

Oct 16, 2004·Journal of Medicinal Chemistry·Jeffrey J SutherlandDonald F Weaver
Nov 5, 2014·ALTEX·Grace PatlewiczThomas Hartung
Dec 17, 2014·SAR and QSAR in Environmental Research·G GiniE Benfenati
Jun 9, 2015·Journal of Cheminformatics·Dávid BajuszKároly Héberger
Mar 1, 2016·Journal of Cheminformatics·César R García-JacasLisset Cabrera-Leyva

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Citations

Nov 22, 2017·SAR and QSAR in Environmental Research·M Vračko, V Drgan
Sep 12, 2018·BioData Mining·Aida MrzicKris Laukens
Apr 4, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Diego BadernaEmilio Benfenati
May 1, 2021·International Journal of Molecular Sciences·Viktor Drgan, Benjamin Bajželj
May 29, 2018·The Science of the Total Environment·Thomas FerrariEmilio Benfenati
Jan 25, 2022·SAR and QSAR in Environmental Research·M VračkoM Sollner Dolenc

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Methods Mentioned

BETA
PCA

Software Mentioned

Java JDK
Matlab
NetBeans IDE
AboutDialog
CPANN
Kohonen
Chemistry Development Kit ( CDK )
Dragon
ANN
Excel

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