The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential

Dimitra-Danai Varsou, Arkaprava Banerjee, Joyita Roy, Kunal Roy, Giannis Savvas, Haralambos Sarimveis, Ewelina Wyrzykowska, Mateusz Balicki, Tomasz Puzyn, Georgia Melagraki, Iseult Lynch and Antreas Afantitis
Beilstein J. Nanotechnol. 2024, 15, 1536–1553. https://doi.org/10.3762/bjnano.15.121

Supporting Information

Supporting Information File 1: The dataset used to develop the five individual models. The NMs used in training and test sets are also indicated.
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Supporting Information File 2: Details of the kNN/read-across model presented following the QMRF format.
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Supporting Information File 3: Details of the random forest model presented following the QMRF format.
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Supporting Information File 4: Details of the AdaBoost regression model presented following the QMRF format.
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Supporting Information File 5: Details of the stacked PLS and MLP q-RASPR models presented following the QMRF format.
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Cite the Following Article

The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential
Dimitra-Danai Varsou, Arkaprava Banerjee, Joyita Roy, Kunal Roy, Giannis Savvas, Haralambos Sarimveis, Ewelina Wyrzykowska, Mateusz Balicki, Tomasz Puzyn, Georgia Melagraki, Iseult Lynch and Antreas Afantitis
Beilstein J. Nanotechnol. 2024, 15, 1536–1553. https://doi.org/10.3762/bjnano.15.121

How to Cite

Varsou, D.-D.; Banerjee, A.; Roy, J.; Roy, K.; Savvas, G.; Sarimveis, H.; Wyrzykowska, E.; Balicki, M.; Puzyn, T.; Melagraki, G.; Lynch, I.; Afantitis, A. Beilstein J. Nanotechnol. 2024, 15, 1536–1553. doi:10.3762/bjnano.15.121

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