Additional file 1 of A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data
João Meneses, Michael González‐Durruthy, Eli Fernández-de-Gortari, Alla P. Toropova, Andrey Andreevich Toropov, Ernesto Alfaro‐Moreno · University of Twente Research Information · 2023
Additional file 1. Table S1 Original dataset. Table S2 List and description of calculated nano-descriptors. Table S3 Dataset with calculated nano-descriptors. Table S4 Dataset for modelling after the filtering step. Table S5 Unseen subset after the filtering step. Table S6 Training and test data after nano-descriptors selection. Table S7 Dataset assuming data normalization by ENMs surface area. Table S8 Applicability domain of the proposed ML nano-QSTR model.