Additional file 17. File containing results obtained for additional tests on eight datasets

Claudia Cappelli (4041566)

Marjan Vračko (390758)

Marjana Novič (158377)

Viktor Drgan (390723)

Špela Župerl (158360)

Journal of Cheminformatics

Additional file 3. Example input data file

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MOESM17 of CPANNatNIC software for counter-propagation neural network to assist in read-across

Abstract Background 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. Results 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. Conclusions 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

Viktor Drgan

Špela Župerl

Marjan Vračko

Claudia Ileana Cappelli

Marjana Novič

Directory of Open Access Journals

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

Additional file 10. File with read-across results for acute toxicity validation set

MOESM10 of CPANNatNIC software for counter-propagation neural network to assist in read-across

Additional file 8. Validation set input file for acute toxicity

MOESM8 of CPANNatNIC software for counter-propagation neural network to assist in read-across

Additional file 2. File containing CPANNatNIC source files

MOESM2 of CPANNatNIC software for counter-propagation neural network to assist in read-across

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MOESM17 of CPANNatNIC software for counter-propagation neural network to assist in read-across

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