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, doi:10.3762/bjnano.15.121

• procedure is provided to all participants, who measure the specific endpoint and return their data for statistical comparison to demonstrate the reproducibility of the method. While there is currently no standard approach for the comparison of modelling approaches, consensus modelling is emerging as a

• of metal and metal oxide-nanomaterials (NMs) in aqueous media. The individual models were integrated into a consensus modelling scheme, enhancing their predictive accuracy and reducing their biases. The consensus models outperform the individual models, resulting in more reliable predictions. We

• propose this approach as a valuable method for increasing the validity of nanoinformatics models and driving regulatory acceptance of in silico new approach methodologies for the use within an “Integrated Approach to Testing and Assessment” (IATA) for risk assessment of NMs. Keywords: consensus modelling